#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1dkl n GLU 3 N 0.00 0.00 0.17 4.33 2.13 -1.26 -4.88 120.64 121.13 1dkl n GLU 3 Ca 0.00 0.00 0.05 0.00 0.66 0.00 0.00 57.16 57.87 1dkl n GLU 3 Cb 0.00 0.00 0.13 0.00 0.27 0.00 0.00 31.44 31.84 1dkl n GLU 3 CO 0.00 0.00 0.00 -1.35 -0.41 0.00 0.00 177.13 175.37 1dkl h PRO 4 N 0.00 0.00 -6.36 5.31 0.11 -2.03 -3.43 132.00 125.60 1dkl h PRO 4 Ca 0.00 0.00 -0.64 0.00 0.11 0.00 0.00 66.00 65.47 1dkl h PRO 4 Cb 0.00 0.00 0.06 0.00 0.11 0.00 0.00 31.00 31.17 1dkl h PRO 4 CO 0.00 0.38 0.51 -1.91 -0.21 0.00 0.00 178.00 176.77 1dkl n GLU 5 N -3.25 1.44 -4.43 1.05 2.13 -1.26 -4.93 120.64 111.41 1dkl n GLU 5 Ca 0.02 0.52 -0.26 0.00 0.66 0.00 0.00 57.16 58.10 1dkl n GLU 5 Cb 0.65 -2.16 -0.11 0.00 0.27 0.00 0.00 31.44 30.08 1dkl n GLU 5 CO 0.00 0.00 0.00 -0.51 -0.41 0.00 0.00 177.13 176.21 1dkl s LEU 6 N 0.58 2.46 -0.03 4.31 1.02 -1.26 -2.10 118.68 123.66 1dkl s LEU 6 Ca 0.80 -0.90 0.02 0.00 0.02 0.00 0.00 54.13 54.07 1dkl s LEU 6 Cb -0.85 -1.13 0.01 0.00 0.02 0.00 0.00 46.19 44.24 1dkl s LEU 6 CO 0.46 0.09 -0.09 -0.75 0.02 0.00 0.00 176.35 176.09 1dkl s LYS 7 N -2.84 1.03 -0.12 1.70 2.20 -0.32 -4.94 119.74 116.46 1dkl s LYS 7 Ca 0.22 -0.29 -0.30 0.00 -0.36 0.00 0.00 55.97 55.25 1dkl s LYS 7 Cb -0.07 -0.95 -0.01 0.00 -1.51 0.00 0.00 37.83 35.29 1dkl s LYS 7 CO 0.11 0.08 1.07 -1.17 -0.36 0.00 0.00 175.35 175.07 1dkl s LEU 8 N 0.34 4.23 -0.02 5.43 0.20 -1.26 -0.97 118.68 126.62 1dkl s LEU 8 Ca -0.06 1.57 0.04 0.00 0.69 0.00 0.00 54.13 56.37 1dkl s LEU 8 Cb -0.10 -3.55 -0.05 0.00 -0.43 0.00 0.00 46.19 42.05 1dkl s LEU 8 CO 0.01 -0.53 0.05 -0.62 -0.29 0.00 0.00 176.35 174.97 1dkl n GLU 9 N 5.35 1.72 -3.70 1.98 1.02 -0.62 -4.80 120.64 121.59 1dkl n GLU 9 Ca 0.10 -0.02 -0.13 0.00 -0.02 0.00 0.00 57.16 57.09 1dkl n GLU 9 Cb 0.48 -1.09 -0.09 0.00 -0.02 0.00 0.00 31.44 30.71 1dkl n GLU 9 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 1dkl s SER 10 N -2.94 -0.52 -0.05 1.62 0.15 -1.15 -4.69 113.70 106.11 1dkl s SER 10 Ca -0.02 1.00 0.02 0.00 0.70 0.00 0.00 55.95 57.65 1dkl s SER 10 Cb 0.02 1.00 0.01 0.00 -1.71 0.00 0.00 66.02 65.35 1dkl s SER 10 CO 0.16 -0.17 -0.09 -0.69 1.20 0.00 0.00 173.24 173.64 1dkl s VAL 11 N 0.33 0.90 -0.17 4.45 1.01 -0.42 -0.22 120.40 126.28 1dkl s VAL 11 Ca -0.01 -0.35 0.01 0.00 0.00 0.00 0.00 61.98 61.63 1dkl s VAL 11 Cb -0.04 -0.84 0.02 0.00 0.00 0.00 0.00 36.38 35.53 1dkl s VAL 11 CO -0.00 0.30 -0.18 -0.69 0.00 0.00 0.00 175.10 174.52 1dkl s VAL 12 N 0.65 1.90 -0.21 2.92 1.01 0.47 -1.42 120.40 125.73 1dkl s VAL 12 Ca -0.12 -0.85 -0.03 0.00 0.00 0.00 0.00 61.98 60.99 1dkl s VAL 12 Cb -0.14 -1.73 -0.01 0.00 0.00 0.00 0.00 36.38 34.50 1dkl s VAL 12 CO 0.02 0.51 -0.07 -0.63 0.00 0.00 0.00 175.10 174.94 1dkl s ILE 13 N 1.30 3.19 -0.36 2.22 1.01 0.50 -0.41 121.20 128.66 1dkl s ILE 13 Ca 0.04 -0.56 -0.10 0.00 0.00 0.00 0.00 60.65 60.03 1dkl s ILE 13 Cb -0.13 -2.43 0.02 0.00 0.01 0.00 0.00 42.46 39.93 1dkl s ILE 13 CO -0.11 0.45 0.18 -0.69 0.00 0.00 0.00 174.94 174.77 1dkl s VAL 14 N 1.37 4.49 0.09 2.92 1.01 0.15 -0.45 120.40 130.00 1dkl s VAL 14 Ca 0.05 -0.80 0.07 0.00 0.00 0.00 0.00 61.98 61.30 1dkl s VAL 14 Cb -0.14 -3.46 -0.04 0.00 0.00 0.00 0.00 36.38 32.74 1dkl s VAL 14 CO -0.04 -0.16 -0.13 -0.55 0.00 0.00 0.00 175.10 174.22 1dkl s SER 15 N 1.55 4.21 0.43 3.32 0.15 0.31 -0.36 113.70 123.31 1dkl s SER 15 Ca 0.02 -0.42 -0.10 0.00 0.70 0.00 0.00 55.95 56.15 1dkl s SER 15 Cb -0.19 -0.75 -0.06 0.00 -1.71 0.00 0.00 66.02 63.31 1dkl s SER 15 CO 0.06 0.19 0.79 -0.60 1.20 0.00 0.00 173.24 174.88 1dkl s ARG 16 N -2.05 3.74 1.04 5.44 3.52 -0.41 0.32 118.95 130.55 1dkl s ARG 16 Ca 0.19 0.44 -0.12 0.00 -0.13 0.00 0.00 55.73 56.11 1dkl s ARG 16 Cb -0.11 -2.37 0.21 0.00 -1.56 0.00 0.00 34.95 31.12 1dkl s ARG 16 CO 0.11 -0.09 1.07 -3.38 -0.81 0.00 0.00 175.30 172.21 1dkl s HIS 17 N -2.46 1.89 0.84 5.12 -3.43 -0.58 -3.04 115.29 113.63 1dkl s HIS 17 Ca 0.51 1.06 -0.14 0.00 -0.80 0.00 0.00 55.06 55.68 1dkl s HIS 17 Cb -0.10 -3.21 0.20 0.00 -1.43 0.00 0.00 32.58 28.03 1dkl s HIS 17 CO 0.34 -3.17 1.07 0.41 -2.00 0.00 0.00 174.74 171.39 1dkl n GLY 18 N -0.55 -1.65 3.72 -1.38 0.00 -1.26 -1.32 105.19 102.75 1dkl n GLY 18 Ca 0.05 -1.67 -0.42 0.00 0.00 0.00 0.00 46.02 43.98 1dkl n GLY 18 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1dkl s VAL 19 N -3.28 2.19 0.01 1.61 -7.23 -1.26 -4.79 120.40 107.65 1dkl s VAL 19 Ca 0.62 0.11 0.08 0.00 -1.81 0.00 0.00 61.98 60.97 1dkl s VAL 19 Cb -0.02 -3.07 -0.02 0.00 0.56 0.00 0.00 36.38 33.83 1dkl s VAL 19 CO 0.44 0.01 -0.24 0.00 -0.31 0.00 0.00 175.10 174.99 1dkl s ARG 20 N 1.30 1.84 0.22 4.82 1.04 -1.26 -2.08 118.95 124.83 1dkl s ARG 20 Ca 0.74 -0.93 -0.32 0.00 -1.04 0.00 0.00 55.73 54.19 1dkl s ARG 20 Cb -0.48 -1.86 -0.12 0.00 -2.04 0.00 0.00 34.95 30.45 1dkl s ARG 20 CO 0.32 0.50 1.68 0.00 -0.04 0.00 0.00 175.30 177.76 1dkl s ALA 21 N -0.65 3.89 0.66 7.88 0.00 -0.12 -4.87 121.76 128.55 1dkl s ALA 21 Ca 0.10 1.57 -0.15 0.00 0.00 0.00 0.00 51.96 53.47 1dkl s ALA 21 Cb -0.09 -3.68 0.00 0.00 0.00 0.00 0.00 23.12 19.35 1dkl s ALA 21 CO 0.00 -0.92 1.11 -1.25 0.00 0.00 0.00 175.76 174.70 1dkl s PRO 22 N 0.84 2.77 0.85 0.00 0.04 -1.26 -0.02 135.00 138.22 1dkl s PRO 22 Ca 0.72 1.41 -0.11 0.00 0.04 0.00 0.00 61.00 63.06 1dkl s PRO 22 Cb -0.49 -1.94 0.10 0.00 0.04 0.00 0.00 34.50 32.21 1dkl s PRO 22 CO 0.35 -1.28 1.11 0.95 0.04 0.00 0.00 177.00 178.17 1dkl s THR 23 N -2.32 2.78 0.24 1.26 -4.23 -1.26 -4.09 115.64 108.02 1dkl s THR 23 Ca 0.67 0.25 -0.29 0.00 -1.18 0.00 0.00 61.69 61.15 1dkl s THR 23 Cb -0.21 -2.57 -0.15 0.00 1.34 0.00 0.00 72.50 70.90 1dkl s THR 23 CO 0.42 -0.33 0.92 1.17 -0.54 0.00 0.00 174.62 176.25 1dkl n LYS 24 N -3.86 0.95 -1.88 3.99 4.81 -1.26 -4.84 118.16 116.07 1dkl n LYS 24 Ca 0.09 0.33 -0.41 0.00 -0.87 0.00 0.00 58.31 57.45 1dkl n LYS 24 Cb 0.53 -1.64 -0.02 0.00 0.02 0.00 0.00 35.03 33.92 1dkl n LYS 24 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1dkl s ALA 25 N -0.86 3.69 0.62 3.14 0.00 -1.26 -5.01 121.76 122.07 1dkl s ALA 25 Ca 0.63 1.47 -0.05 0.00 0.00 0.00 0.00 51.96 54.01 1dkl s ALA 25 Cb -0.80 -3.61 0.03 0.00 0.00 0.00 0.00 23.12 18.74 1dkl s ALA 25 CO 0.58 -0.88 0.92 0.95 0.00 0.00 0.00 175.76 177.32 1dkl s THR 26 N -0.06 3.17 0.42 0.00 -4.23 -1.26 -4.94 115.64 108.74 1dkl s THR 26 Ca 0.61 -0.16 0.08 0.00 -1.18 0.00 0.00 61.69 61.05 1dkl s THR 26 Cb -0.45 -3.28 0.26 0.00 1.34 0.00 0.00 72.50 70.36 1dkl s THR 26 CO 0.47 -0.28 2.06 1.56 -0.54 0.00 0.00 174.62 177.88 1dkl h GLN 27 N -0.26 0.47 -0.53 3.99 1.08 -1.99 -1.35 115.11 116.51 1dkl h GLN 27 Ca -0.45 -0.03 -0.05 0.00 -1.45 0.00 0.00 58.65 56.67 1dkl h GLN 27 Cb 1.28 -0.10 -0.02 0.00 -0.05 0.00 0.00 27.48 28.58 1dkl h GLN 27 CO 0.60 0.33 0.15 1.25 -0.95 0.00 0.00 178.83 180.21 1dkl h LEU 28 N 0.48 0.78 -1.06 1.46 6.46 -1.97 0.26 115.31 121.72 1dkl h LEU 28 Ca 0.13 -0.22 -0.03 0.00 -0.12 0.00 0.00 57.88 57.64 1dkl h LEU 28 Cb -0.02 -0.21 -0.03 0.00 -0.73 0.00 0.00 40.66 39.67 1dkl h LEU 28 CO -0.02 0.79 0.25 0.24 -0.62 0.00 0.00 178.44 179.08 1dkl h MET 29 N 0.73 0.92 0.00 1.25 2.86 -1.65 -2.19 114.93 116.86 1dkl h MET 29 Ca 0.17 -0.15 -0.13 0.00 -2.06 0.00 0.00 59.70 57.54 1dkl h MET 29 Cb 0.30 -0.16 -0.02 0.00 0.06 0.00 0.00 31.60 31.78 1dkl h MET 29 CO -0.00 0.75 -0.60 1.96 1.06 0.00 0.00 176.91 180.07 1dkl h GLN 30 N 0.90 0.00 -0.00 1.72 4.20 -1.02 -3.15 115.11 117.77 1dkl h GLN 30 Ca 0.21 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.92 1dkl h GLN 30 Cb 0.17 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.95 1dkl h GLN 30 CO -0.02 0.60 -0.05 -0.25 -0.67 0.00 0.00 178.83 178.44 1dkl n ASP 31 N -3.41 0.08 -0.51 1.46 10.43 0.05 -3.65 116.55 121.00 1dkl n ASP 31 Ca 0.01 0.16 0.10 0.00 2.57 0.00 0.00 54.79 57.63 1dkl n ASP 31 Cb 0.71 -0.34 0.01 0.00 1.84 0.00 0.00 41.12 43.34 1dkl n ASP 31 CO 0.00 0.00 0.00 1.33 -1.07 0.00 0.00 177.20 177.46 1dkl n VAL 32 N -1.39 0.00 -3.76 2.53 0.24 -0.88 -1.81 118.33 113.26 1dkl n VAL 32 Ca 0.10 -0.31 -0.12 0.00 -2.04 0.00 0.00 64.34 61.96 1dkl n VAL 32 Cb 0.31 1.27 -0.12 0.00 -1.47 0.00 0.00 33.84 33.83 1dkl n VAL 32 CO 0.00 0.00 0.00 0.28 -2.14 0.00 0.00 176.83 174.97 1dkl s THR 33 N -2.26 -0.01 0.21 3.34 -1.32 -1.24 -4.44 115.64 109.92 1dkl s THR 33 Ca 0.18 0.04 0.31 0.00 -1.21 0.00 0.00 61.69 61.01 1dkl s THR 33 Cb 0.17 -0.42 0.33 0.00 -1.51 0.00 0.00 72.50 71.08 1dkl s THR 33 CO 0.50 0.02 1.99 1.55 -2.21 0.00 0.00 174.62 176.46 1dkl h PRO 34 N 6.19 0.00 -6.77 7.08 0.13 -1.77 -3.45 132.00 133.41 1dkl h PRO 34 Ca -0.31 0.00 -0.50 0.00 -0.87 0.00 0.00 66.00 64.33 1dkl h PRO 34 Cb 1.18 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.30 1dkl h PRO 34 CO 0.34 0.09 0.09 -0.51 -0.23 0.00 0.00 178.00 177.78 1dkl s ASP 35 N -5.87 6.61 0.25 1.44 1.01 -1.26 -5.06 116.67 113.79 1dkl s ASP 35 Ca -0.00 1.16 -0.24 0.00 0.71 0.00 0.00 52.55 54.18 1dkl s ASP 35 Cb 0.10 -2.33 -0.09 0.00 1.01 0.00 0.00 42.92 41.61 1dkl s ASP 35 CO 0.57 -0.31 0.83 0.00 0.21 0.00 0.00 175.17 176.47 1dkl s ALA 36 N -2.20 3.34 -0.05 5.23 0.00 -1.26 -5.01 121.76 121.81 1dkl s ALA 36 Ca 0.52 0.37 -0.30 0.00 0.00 0.00 0.00 51.96 52.55 1dkl s ALA 36 Cb -0.10 -3.01 -0.02 0.00 0.00 0.00 0.00 23.12 19.98 1dkl s ALA 36 CO 0.26 0.26 1.03 -1.58 0.00 0.00 0.00 175.76 175.73 1dkl s TRP 37 N -1.45 3.53 0.43 0.00 0.52 -1.26 -4.99 118.94 115.71 1dkl s TRP 37 Ca 0.44 1.57 -0.26 0.00 0.02 0.00 0.00 56.10 57.87 1dkl s TRP 37 Cb -0.19 -3.21 -0.09 0.00 -1.15 0.00 0.00 33.47 28.83 1dkl s TRP 37 CO 0.24 -0.34 1.43 -1.25 0.02 0.00 0.00 176.95 177.05 1dkl s PRO 38 N 1.58 3.82 0.47 4.98 0.04 -1.26 -4.98 135.00 139.65 1dkl s PRO 38 Ca 0.51 2.44 -0.05 0.00 0.04 0.00 0.00 61.00 63.94 1dkl s PRO 38 Cb -0.21 -2.75 -0.03 0.00 0.04 0.00 0.00 34.50 31.55 1dkl s PRO 38 CO 0.23 -0.72 0.77 0.95 0.04 0.00 0.00 177.00 178.27 1dkl s THR 39 N -1.18 4.86 -0.22 1.26 -4.23 -1.26 -5.07 115.64 109.79 1dkl s THR 39 Ca 0.58 0.13 -0.05 0.00 -1.18 0.00 0.00 61.69 61.17 1dkl s THR 39 Cb -0.44 -3.84 -0.02 0.00 1.34 0.00 0.00 72.50 69.54 1dkl s THR 39 CO 0.57 -0.80 -0.01 0.26 -0.54 0.00 0.00 174.62 174.10 1dkl s TRP 40 N -2.72 3.00 0.00 3.99 0.52 -1.26 -5.01 118.94 117.47 1dkl s TRP 40 Ca 0.47 -0.68 -0.04 0.00 0.02 0.00 0.00 56.10 55.86 1dkl s TRP 40 Cb -0.10 -2.13 -0.20 0.00 -1.15 0.00 0.00 33.47 29.89 1dkl s TRP 40 CO 0.44 -0.42 2.86 -0.35 0.02 0.00 0.00 176.95 179.51 1dkl n PRO 41 N 4.66 1.52 -3.68 4.98 -0.04 -1.26 -4.75 135.00 136.43 1dkl n PRO 41 Ca -0.17 -0.73 -0.14 0.00 -0.04 0.00 0.00 63.50 62.41 1dkl n PRO 41 Cb 0.51 -1.84 -0.08 0.00 -0.04 0.00 0.00 33.50 32.05 1dkl n PRO 41 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 1dkl s VAL 42 N 1.36 0.01 -0.38 0.52 1.01 -1.26 -5.07 120.40 116.59 1dkl s VAL 42 Ca 0.49 -0.10 -0.38 0.00 0.00 0.00 0.00 61.98 61.98 1dkl s VAL 42 Cb 0.23 -0.76 -0.14 0.00 0.00 0.00 0.00 36.38 35.72 1dkl s VAL 42 CO 0.00 -0.06 2.10 1.17 0.00 0.00 0.00 175.10 178.32 1dkl n LYS 43 N 2.10 0.78 -1.63 2.72 4.81 -1.26 -4.76 118.16 120.91 1dkl n LYS 43 Ca -0.16 0.23 -0.44 0.00 -0.87 0.00 0.00 58.31 57.07 1dkl n LYS 43 Cb 0.56 -2.14 -0.01 0.00 0.02 0.00 0.00 35.03 33.46 1dkl n LYS 43 CO 0.00 0.00 0.00 1.28 1.17 0.00 0.00 177.40 179.85 1dkl n LEU 44 N 8.49 2.48 0.00 3.14 4.77 -1.26 -1.87 117.00 132.74 1dkl n LEU 44 Ca 0.43 1.19 0.00 0.00 -0.03 0.00 0.00 56.01 57.60 1dkl n LEU 44 Cb 0.14 -1.36 0.00 0.00 -2.33 0.00 0.00 43.42 39.86 1dkl n LEU 44 CO 0.80 -1.04 0.00 0.61 -1.33 0.00 0.00 177.39 176.44 1dkl n GLY 45 N 1.09 1.49 3.90 -0.72 0.00 0.97 -4.90 105.19 107.02 1dkl n GLY 45 Ca 0.08 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.89 1dkl n GLY 45 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1dkl s TRP 46 N -2.89 2.97 0.14 1.61 0.52 -0.78 -4.72 118.94 115.79 1dkl s TRP 46 Ca 0.00 -0.28 -0.31 0.00 0.02 0.00 0.00 56.10 55.53 1dkl s TRP 46 Cb 0.00 -1.87 -0.09 0.00 -1.15 0.00 0.00 33.47 30.36 1dkl s TRP 46 CO 0.00 0.11 1.42 -1.17 0.02 0.00 0.00 176.95 177.33 1dkl s LEU 47 N -4.06 4.38 0.50 2.99 2.96 -1.26 -0.94 118.68 123.24 1dkl s LEU 47 Ca 0.42 2.42 -0.18 0.00 -0.22 0.00 0.00 54.13 56.57 1dkl s LEU 47 Cb -0.07 -3.59 -0.08 0.00 0.50 0.00 0.00 46.19 42.95 1dkl s LEU 47 CO 0.28 -0.68 1.00 0.42 -1.32 0.00 0.00 176.35 176.05 1dkl s THR 48 N 0.93 4.26 0.50 3.68 -4.23 -0.89 -4.88 115.64 115.02 1dkl s THR 48 Ca 0.65 1.22 0.15 0.00 -1.18 0.00 0.00 61.69 62.52 1dkl s THR 48 Cb -0.39 -3.59 0.27 0.00 1.34 0.00 0.00 72.50 70.13 1dkl s THR 48 CO 0.32 -0.49 2.13 1.55 -0.54 0.00 0.00 174.62 177.59 1dkl h PRO 49 N 1.20 0.07 -0.50 3.99 0.13 -1.94 -0.16 132.00 134.80 1dkl h PRO 49 Ca -0.48 -0.00 -0.12 0.00 -0.87 0.00 0.00 66.00 64.53 1dkl h PRO 49 Cb 1.19 -0.02 -0.02 0.00 0.13 0.00 0.00 31.00 32.29 1dkl h PRO 49 CO 0.60 0.06 -0.17 -0.09 -0.23 0.00 0.00 178.00 178.17 1dkl h ARG 50 N 0.07 0.97 -1.00 0.86 2.43 -1.94 -1.90 114.38 113.88 1dkl h ARG 50 Ca 0.02 -0.38 0.05 0.00 -0.81 0.00 0.00 59.98 58.85 1dkl h ARG 50 Cb 0.01 -0.05 -0.06 0.00 -0.42 0.00 0.00 29.97 29.45 1dkl h ARG 50 CO -0.00 1.06 0.65 0.78 -1.51 0.00 0.00 179.97 180.94 1dkl h GLY 51 N 0.92 1.48 1.31 2.80 0.00 -1.31 -0.98 103.07 107.28 1dkl h GLY 51 Ca 0.12 -0.49 -0.04 0.00 0.00 0.00 0.00 47.33 46.92 1dkl h GLY 51 CO 0.06 0.39 0.20 -1.33 0.00 0.00 0.00 176.54 175.86 1dkl h GLY 52 N 1.22 0.95 0.84 4.60 0.00 -0.74 -2.52 103.07 107.43 1dkl h GLY 52 Ca 0.41 -0.51 -0.01 0.00 0.00 0.00 0.00 47.33 47.22 1dkl h GLY 52 CO -0.14 0.48 0.04 0.83 0.00 0.00 0.00 176.54 177.75 1dkl h GLU 53 N 0.86 0.24 -0.83 4.80 5.08 -0.44 -1.45 114.58 122.85 1dkl h GLU 53 Ca 0.20 -0.05 0.08 0.00 -1.00 0.00 0.00 59.36 58.59 1dkl h GLU 53 Cb 0.22 -0.03 -0.06 0.00 0.50 0.00 0.00 28.75 29.38 1dkl h GLU 53 CO -0.01 0.38 0.54 -0.07 -1.00 0.00 0.00 179.01 178.84 1dkl h LEU 54 N 0.06 0.75 -0.40 1.33 3.38 -1.10 -0.25 115.31 119.08 1dkl h LEU 54 Ca 0.05 0.01 -0.10 0.00 0.09 0.00 0.00 57.88 57.93 1dkl h LEU 54 Cb 0.24 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 40.83 1dkl h LEU 54 CO -0.00 0.46 -0.15 0.40 0.09 0.00 0.00 178.44 179.24 1dkl h ILE 55 N 0.84 1.28 -0.94 1.22 1.08 -1.21 -2.93 117.51 116.84 1dkl h ILE 55 Ca 0.37 -1.27 0.06 0.00 -0.39 0.00 0.00 64.86 63.63 1dkl h ILE 55 Cb 0.34 1.25 -0.06 0.00 -3.07 0.00 0.00 36.82 35.29 1dkl h ILE 55 CO -0.14 0.43 0.61 0.00 -0.69 0.00 0.00 178.15 178.35 1dkl h ALA 56 N 0.83 1.45 -0.63 1.87 0.00 -0.00 -0.36 119.26 122.43 1dkl h ALA 56 Ca 0.10 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.95 1dkl h ALA 56 Cb 0.69 -0.30 -0.03 0.00 0.00 0.00 0.00 17.79 18.15 1dkl h ALA 56 CO 0.05 0.42 0.30 1.88 0.00 0.00 0.00 179.25 181.91 1dkl h TYR 57 N 1.11 0.87 -0.11 0.00 0.05 -1.03 0.87 116.97 118.74 1dkl h TYR 57 Ca 0.39 -0.03 -0.14 0.00 0.05 0.00 0.00 58.73 59.01 1dkl h TYR 57 Cb 0.13 -0.28 -0.01 0.00 1.01 0.00 0.00 36.73 37.58 1dkl h TYR 57 CO -0.00 0.64 -0.54 -0.07 -1.05 0.00 0.00 178.16 177.13 1dkl h LEU 58 N 0.88 0.35 -0.49 3.88 3.38 -0.95 -0.78 115.31 121.57 1dkl h LEU 58 Ca 0.22 -0.18 -0.12 0.00 0.09 0.00 0.00 57.88 57.89 1dkl h LEU 58 Cb 0.09 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 40.72 1dkl h LEU 58 CO -0.03 0.82 -0.14 1.23 0.09 0.00 0.00 178.44 180.41 1dkl h GLY 59 N 1.32 1.05 1.05 0.83 0.00 -0.21 -0.13 103.07 106.99 1dkl h GLY 59 Ca 0.00 -0.88 -0.09 0.00 0.00 0.00 0.00 47.33 46.36 1dkl h GLY 59 CO 0.09 0.81 0.02 0.84 0.00 0.00 0.00 176.54 178.29 1dkl h HIS 60 N 0.83 1.09 -0.14 5.60 -0.00 -0.69 -1.97 115.15 119.86 1dkl h HIS 60 Ca 0.12 -0.18 -0.01 0.00 -0.00 0.00 0.00 60.37 60.30 1dkl h HIS 60 Cb 0.71 -0.29 -0.01 0.00 -0.00 0.00 0.00 27.41 27.83 1dkl h HIS 60 CO 0.05 0.97 0.06 -0.92 -0.00 0.00 0.00 177.93 178.09 1dkl h TYR 61 N 0.89 0.22 -0.59 5.26 3.20 -0.97 -2.62 116.97 122.36 1dkl h TYR 61 Ca 0.16 -0.02 0.02 0.00 3.14 0.00 0.00 58.73 62.04 1dkl h TYR 61 Cb 0.53 -0.07 -0.03 0.00 1.54 0.00 0.00 36.73 38.70 1dkl h TYR 61 CO 0.04 0.30 0.39 1.96 -1.64 0.00 0.00 178.16 179.21 1dkl h GLN 62 N 0.07 0.72 -0.29 1.82 1.08 -0.84 -1.44 115.11 116.23 1dkl h GLN 62 Ca 0.05 -0.04 -0.02 0.00 -1.45 0.00 0.00 58.65 57.18 1dkl h GLN 62 Cb 0.18 -0.16 -0.01 0.00 -0.05 0.00 0.00 27.48 27.43 1dkl h GLN 62 CO -0.00 0.48 0.08 -0.09 -0.95 0.00 0.00 178.83 178.35 1dkl h ARG 63 N 0.74 0.46 0.00 1.46 9.65 -1.18 0.24 114.38 125.75 1dkl h ARG 63 Ca 0.23 -0.10 -0.00 0.00 -1.10 0.00 0.00 59.98 59.00 1dkl h ARG 63 Cb -0.00 -0.06 0.00 0.00 -1.39 0.00 0.00 29.97 28.52 1dkl h ARG 63 CO -0.06 0.52 -0.00 1.96 2.80 0.00 0.00 179.97 185.19 1dkl h GLN 64 N 0.31 -0.01 -0.39 0.20 4.20 -1.07 -0.23 115.11 118.11 1dkl h GLN 64 Ca 0.09 0.00 0.02 0.00 0.06 0.00 0.00 58.65 58.83 1dkl h GLN 64 Cb 0.26 0.00 -0.03 0.00 0.30 0.00 0.00 27.48 28.01 1dkl h GLN 64 CO -0.00 0.07 0.22 -0.09 -0.67 0.00 0.00 178.83 178.35 1dkl h ARG 65 N -0.08 0.43 0.00 1.46 1.12 -1.20 -0.05 114.38 116.06 1dkl h ARG 65 Ca -0.00 -0.03 -0.06 0.00 -1.11 0.00 0.00 59.98 58.78 1dkl h ARG 65 Cb 0.08 -0.10 -0.01 0.00 -0.01 0.00 0.00 29.97 29.93 1dkl h ARG 65 CO 0.00 0.28 -0.29 -0.07 -3.11 0.00 0.00 179.97 176.78 1dkl h LEU 66 N 0.44 0.00 -0.06 3.80 4.07 -0.38 -1.06 115.31 122.12 1dkl h LEU 66 Ca 0.16 0.00 -0.16 0.00 0.08 0.00 0.00 57.88 57.96 1dkl h LEU 66 Cb 0.04 0.00 0.01 0.00 1.08 0.00 0.00 40.66 41.79 1dkl h LEU 66 CO -0.09 0.29 -0.60 0.58 -1.08 0.00 0.00 178.44 177.54 1dkl h VAL 67 N 0.00 1.38 -0.12 1.22 2.07 -0.44 0.15 116.25 120.50 1dkl h VAL 67 Ca -0.00 -1.96 -0.01 0.00 0.82 0.00 0.00 66.70 65.54 1dkl h VAL 67 Cb 0.66 2.35 -0.01 0.00 -1.52 0.00 0.00 31.29 32.78 1dkl h VAL 67 CO 0.04 0.59 0.01 0.00 0.02 0.00 0.00 177.57 178.23 1dkl h ALA 68 N 0.41 1.80 -0.12 1.67 0.00 -0.58 0.23 119.26 122.67 1dkl h ALA 68 Ca -0.06 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.78 1dkl h ALA 68 Cb 1.27 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 19.00 1dkl h ALA 68 CO 0.12 0.16 0.00 -0.25 0.00 0.00 0.00 179.25 179.28 1dkl n ASP 69 N -4.45 1.48 -1.42 0.00 8.00 -0.44 -4.93 116.55 114.79 1dkl n ASP 69 Ca -0.01 -1.63 -0.14 0.00 0.71 0.00 0.00 54.79 53.72 1dkl n ASP 69 Cb 0.14 -0.07 -0.02 0.00 -0.02 0.00 0.00 41.12 41.14 1dkl n ASP 69 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1dkl n GLY 70 N 1.11 0.35 0.10 0.44 0.00 0.79 -4.62 105.19 103.36 1dkl n GLY 70 Ca 0.17 -0.32 -0.13 0.00 0.00 0.00 0.00 46.02 45.74 1dkl n GLY 70 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1dkl h LEU 71 N 0.00 0.15 -8.83 0.99 6.46 -0.93 -3.47 115.31 109.68 1dkl h LEU 71 Ca -0.32 -0.31 -0.57 0.00 -0.12 0.00 0.00 57.88 56.56 1dkl h LEU 71 Cb 1.13 -0.05 -0.20 0.00 -0.73 0.00 0.00 40.66 40.82 1dkl h LEU 71 CO 0.40 1.28 -0.81 -0.76 -0.62 0.00 0.00 178.44 177.93 1dkl s LEU 72 N -6.45 2.38 0.49 2.25 1.02 -1.09 -5.02 118.68 112.27 1dkl s LEU 72 Ca -0.10 -0.80 -0.21 0.00 0.02 0.00 0.00 54.13 53.04 1dkl s LEU 72 Cb 0.08 -0.95 -0.07 0.00 0.02 0.00 0.00 46.19 45.27 1dkl s LEU 72 CO 0.81 0.04 1.13 0.00 0.02 0.00 0.00 176.35 178.35 1dkl s ALA 73 N -1.61 2.85 0.27 4.21 0.00 -1.26 -4.26 121.76 121.97 1dkl s ALA 73 Ca 0.14 0.83 -0.02 0.00 0.00 0.00 0.00 51.96 52.91 1dkl s ALA 73 Cb -0.08 -3.35 0.38 0.00 0.00 0.00 0.00 23.12 20.07 1dkl s ALA 73 CO 0.06 -0.63 1.83 -0.22 0.00 0.00 0.00 175.76 176.80 1dkl h LYS 74 N 1.67 0.88 -5.43 0.00 1.63 -1.96 -3.45 116.57 109.90 1dkl h LYS 74 Ca -0.50 -0.17 -0.42 0.00 -0.85 0.00 0.00 60.65 58.72 1dkl h LYS 74 Cb 1.25 -0.14 -0.15 0.00 -0.60 0.00 0.00 32.23 32.60 1dkl h LYS 74 CO 0.59 0.77 -0.73 0.15 -3.45 0.00 0.00 179.45 176.78 1dkl s LYS 75 N -5.28 1.25 1.07 1.90 1.02 -1.26 -5.09 119.74 113.35 1dkl s LYS 75 Ca -0.10 -1.54 0.00 0.00 0.02 0.00 0.00 55.97 54.35 1dkl s LYS 75 Cb 0.16 -0.99 0.00 0.00 -0.52 0.00 0.00 37.83 36.48 1dkl s LYS 75 CO 0.80 0.16 0.00 0.41 -0.92 0.00 0.00 175.35 175.80 1dkl n GLY 76 N -0.29 -1.90 3.89 -3.33 0.00 -1.26 -4.90 105.19 97.40 1dkl n GLY 76 Ca -0.09 -1.50 -0.34 0.00 0.00 0.00 0.00 46.02 44.09 1dkl n GLY 76 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1dkl s PRO 78 N -1.81 1.99 0.67 0.00 0.04 -1.26 -4.94 135.00 129.69 1dkl s PRO 78 Ca 0.27 1.46 -0.17 0.00 0.04 0.00 0.00 61.00 62.59 1dkl s PRO 78 Cb -0.13 -1.85 -0.00 0.00 0.04 0.00 0.00 34.50 32.56 1dkl s PRO 78 CO 0.17 -1.89 1.19 1.04 0.04 0.00 0.00 177.00 177.55 1dkl n GLN 79 N -3.31 0.90 -1.73 4.56 1.13 -1.26 -4.87 117.38 112.80 1dkl n GLN 79 Ca 0.11 0.36 -0.42 0.00 -1.94 0.00 0.00 57.00 55.11 1dkl n GLN 79 Cb 0.52 -2.43 -0.02 0.00 0.11 0.00 0.00 30.24 28.42 1dkl n GLN 79 CO 0.00 0.00 0.00 -1.13 -1.44 0.00 0.00 177.06 174.49 1dkl n SER 80 N -1.86 3.85 0.00 1.08 3.41 -1.26 -1.10 113.62 117.74 1dkl n SER 80 Ca 0.15 1.10 0.00 0.00 -0.26 0.00 0.00 58.87 59.86 1dkl n SER 80 Cb 0.48 -1.57 0.00 0.00 -0.26 0.00 0.00 64.21 62.86 1dkl n SER 80 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1dkl n GLY 81 N 3.05 0.55 0.07 5.00 0.00 -1.26 -4.85 105.19 107.75 1dkl n GLY 81 Ca 0.12 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.05 1dkl n GLY 81 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 173.32 171.71 1dkl h GLN 82 N 1.36 0.05 -5.08 1.61 4.15 -1.45 -3.42 115.11 112.32 1dkl h GLN 82 Ca 0.00 -0.08 -0.64 0.00 0.77 0.00 0.00 58.65 58.70 1dkl h GLN 82 Cb 0.12 0.03 -0.34 0.00 0.21 0.00 0.00 27.48 27.50 1dkl h GLN 82 CO 0.00 0.95 -0.86 0.08 -1.93 0.00 0.00 178.83 177.07 1dkl s VAL 83 N -2.68 1.83 -0.04 2.39 1.01 -1.26 -1.50 120.40 120.15 1dkl s VAL 83 Ca -0.01 -0.86 0.03 0.00 0.00 0.00 0.00 61.98 61.13 1dkl s VAL 83 Cb 0.09 -1.61 0.00 0.00 0.00 0.00 0.00 36.38 34.86 1dkl s VAL 83 CO 0.83 0.51 -0.12 0.00 0.00 0.00 0.00 175.10 176.31 1dkl s ALA 84 N 0.63 1.17 -0.11 5.51 0.00 0.33 -4.94 121.76 124.34 1dkl s ALA 84 Ca -0.13 -0.47 0.03 0.00 0.00 0.00 0.00 51.96 51.39 1dkl s ALA 84 Cb -0.16 -0.43 0.01 0.00 0.00 0.00 0.00 23.12 22.53 1dkl s ALA 84 CO 0.03 0.18 -0.21 0.42 0.00 0.00 0.00 175.76 176.19 1dkl s ILE 85 N 0.24 1.88 -0.05 0.00 1.01 -1.26 -0.58 121.20 122.43 1dkl s ILE 85 Ca -0.06 -0.89 0.05 0.00 0.00 0.00 0.00 60.65 59.75 1dkl s ILE 85 Cb -0.11 -1.65 -0.01 0.00 0.01 0.00 0.00 42.46 40.70 1dkl s ILE 85 CO 0.02 0.52 -0.21 -0.63 0.00 0.00 0.00 174.94 174.63 1dkl s ILE 86 N 0.62 1.77 0.06 2.92 1.01 0.42 -1.25 121.20 126.76 1dkl s ILE 86 Ca -0.13 -0.91 0.03 0.00 0.00 0.00 0.00 60.65 59.65 1dkl s ILE 86 Cb -0.17 -1.51 -0.03 0.00 0.01 0.00 0.00 42.46 40.77 1dkl s ILE 86 CO 0.03 0.50 -0.10 0.00 0.00 0.00 0.00 174.94 175.37 1dkl s ALA 87 N -0.04 0.85 0.87 9.38 0.00 -0.17 -0.17 121.76 132.47 1dkl s ALA 87 Ca -0.05 -0.92 -0.11 0.00 0.00 0.00 0.00 51.96 50.88 1dkl s ALA 87 Cb -0.13 0.00 0.12 0.00 0.00 0.00 0.00 23.12 23.11 1dkl s ALA 87 CO 0.03 0.02 1.10 0.34 0.00 0.00 0.00 175.76 177.25 1dkl s ASP 88 N -1.82 3.57 0.57 0.00 2.15 -0.79 -4.49 116.67 115.86 1dkl s ASP 88 Ca -0.04 1.76 0.34 0.00 0.43 0.00 0.00 52.55 55.03 1dkl s ASP 88 Cb -0.08 -2.39 1.69 0.00 -0.30 0.00 0.00 42.92 41.84 1dkl s ASP 88 CO 0.01 -2.62 2.13 -0.37 -0.17 0.00 0.00 175.17 174.15 1dkl h VAL 89 N -1.53 0.27 -4.25 1.11 -1.51 -1.92 -3.35 116.25 105.06 1dkl h VAL 89 Ca -0.47 -0.39 -0.52 0.00 -1.23 0.00 0.00 66.70 64.09 1dkl h VAL 89 Cb 1.26 1.30 0.19 0.00 -2.13 0.00 0.00 31.29 31.91 1dkl h VAL 89 CO 0.50 0.06 0.27 -1.81 -1.23 0.00 0.00 177.57 175.36 1dkl s ASP 90 N -5.77 3.26 0.06 4.19 1.01 -1.26 -4.83 116.67 113.33 1dkl s ASP 90 Ca -0.02 2.22 -0.24 0.00 0.71 0.00 0.00 52.55 55.21 1dkl s ASP 90 Cb 0.12 -2.57 -0.17 0.00 1.01 0.00 0.00 42.92 41.31 1dkl s ASP 90 CO 0.53 -2.88 1.60 -0.08 0.21 0.00 0.00 175.17 174.55 1dkl h GLU 91 N -1.50 -0.02 -0.44 8.23 4.22 -1.93 -1.83 114.58 121.31 1dkl h GLU 91 Ca -0.44 0.00 0.04 0.00 0.08 0.00 0.00 59.36 59.04 1dkl h GLU 91 Cb 1.27 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.50 1dkl h GLU 91 CO 0.44 0.12 0.30 0.07 -2.18 0.00 0.00 179.01 177.76 1dkl h ARG 92 N -0.16 0.42 0.14 1.92 0.11 -1.92 -0.17 114.38 114.72 1dkl h ARG 92 Ca -0.00 -0.03 -0.29 0.00 0.10 0.00 0.00 59.98 59.76 1dkl h ARG 92 Cb 0.15 -0.10 0.02 0.00 1.11 0.00 0.00 29.97 31.16 1dkl h ARG 92 CO 0.00 0.28 -1.27 1.79 0.10 0.00 0.00 179.97 180.87 1dkl h THR 93 N 0.43 1.35 -0.20 0.08 1.35 -1.79 -2.51 112.91 111.62 1dkl h THR 93 Ca 0.18 -2.68 -0.03 0.00 -0.55 0.00 0.00 66.41 63.34 1dkl h THR 93 Cb 0.19 2.81 -0.01 0.00 -1.73 0.00 0.00 68.15 69.41 1dkl h THR 93 CO -0.05 0.80 0.01 0.03 -0.25 0.00 0.00 175.52 176.06 1dkl h ARG 94 N 0.19 0.34 0.00 4.72 3.08 -0.74 -1.82 114.38 120.16 1dkl h ARG 94 Ca -0.18 -0.10 -0.03 0.00 0.07 0.00 0.00 59.98 59.74 1dkl h ARG 94 Cb 1.95 -0.03 -0.00 0.00 0.08 0.00 0.00 29.97 31.97 1dkl h ARG 94 CO 0.23 0.53 -0.14 0.87 -1.07 0.00 0.00 179.97 180.39 1dkl h LYS 95 N 0.11 0.00 -0.27 0.04 1.79 -1.15 -1.01 116.57 116.09 1dkl h LYS 95 Ca 0.06 0.00 -0.18 0.00 -2.18 0.00 0.00 60.65 58.35 1dkl h LYS 95 Cb 0.37 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.02 1dkl h LYS 95 CO 0.01 0.14 -0.54 1.15 -1.08 0.00 0.00 179.45 179.13 1dkl h THR 96 N 0.00 1.28 -0.65 -0.16 2.02 -1.07 0.33 112.91 114.66 1dkl h THR 96 Ca -0.00 -1.73 -0.01 0.00 0.77 0.00 0.00 66.41 65.43 1dkl h THR 96 Cb 0.36 1.69 -0.03 0.00 -1.74 0.00 0.00 68.15 68.43 1dkl h THR 96 CO 0.02 0.56 0.35 1.23 0.37 0.00 0.00 175.52 178.05 1dkl h GLY 97 N 0.61 0.97 0.89 2.16 0.00 -0.46 -0.59 103.07 106.65 1dkl h GLY 97 Ca 0.01 -0.45 -0.05 0.00 0.00 0.00 0.00 47.33 46.84 1dkl h GLY 97 CO 0.12 0.43 -0.01 0.83 0.00 0.00 0.00 176.54 177.91 1dkl h GLU 98 N 0.89 0.54 -0.79 4.80 5.08 -1.07 -0.90 114.58 123.13 1dkl h GLU 98 Ca 0.23 -0.18 -0.04 0.00 -1.00 0.00 0.00 59.36 58.37 1dkl h GLU 98 Cb 0.06 -0.05 -0.04 0.00 0.50 0.00 0.00 28.75 29.22 1dkl h GLU 98 CO -0.03 0.69 0.33 0.00 -1.00 0.00 0.00 179.01 178.99 1dkl h ALA 99 N 0.83 1.08 -0.08 3.43 0.00 -0.72 0.69 119.26 124.49 1dkl h ALA 99 Ca 0.08 -0.19 -0.00 0.00 0.00 0.00 0.00 54.91 54.80 1dkl h ALA 99 Cb 0.45 -0.31 -0.00 0.00 0.00 0.00 0.00 17.79 17.93 1dkl h ALA 99 CO 0.02 0.66 0.04 0.35 0.00 0.00 0.00 179.25 180.32 1dkl h PHE 100 N 1.15 0.12 -0.97 0.00 3.04 -0.97 -1.12 116.94 118.19 1dkl h PHE 100 Ca 0.27 -0.00 0.04 0.00 3.98 0.00 0.00 57.97 62.25 1dkl h PHE 100 Cb 0.20 -0.04 -0.06 0.00 2.56 0.00 0.00 35.95 38.61 1dkl h PHE 100 CO 0.02 0.17 0.63 0.00 -2.02 0.00 0.00 178.31 177.11 1dkl h ALA 101 N 0.93 1.29 -0.14 2.41 0.00 -0.81 -0.55 119.26 122.39 1dkl h ALA 101 Ca 0.03 -0.04 -0.05 0.00 0.00 0.00 0.00 54.91 54.84 1dkl h ALA 101 Cb 0.10 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 17.54 1dkl h ALA 101 CO -0.00 0.50 -0.15 0.00 0.00 0.00 0.00 179.25 179.59 1dkl h ALA 102 N 1.40 1.49 0.10 0.00 0.00 -0.36 -1.62 119.26 120.27 1dkl h ALA 102 Ca 0.39 -0.22 -0.29 0.00 0.00 0.00 0.00 54.91 54.79 1dkl h ALA 102 Cb 0.02 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 1dkl h ALA 102 CO -0.13 0.36 -1.43 0.78 0.00 0.00 0.00 179.25 178.84 1dkl h GLY 103 N 0.77 0.25 1.28 0.00 0.00 -0.53 -2.96 103.07 101.88 1dkl h GLY 103 Ca 0.04 -0.64 -0.16 0.00 0.00 0.00 0.00 47.33 46.56 1dkl h GLY 103 CO 0.02 0.56 -0.47 -2.00 0.00 0.00 0.00 176.54 174.66 1dkl h LEU 104 N 0.06 0.84 -5.57 3.11 5.85 -0.91 -3.00 115.31 115.68 1dkl h LEU 104 Ca -0.20 -0.41 -0.35 0.00 0.84 0.00 0.00 57.88 57.76 1dkl h LEU 104 Cb 1.98 -0.24 -0.26 0.00 0.37 0.00 0.00 40.66 42.52 1dkl h LEU 104 CO 0.16 1.17 -0.72 0.00 -0.34 0.00 0.00 178.44 178.72 1dkl n ALA 105 N -2.54 0.22 -1.72 1.25 0.00 -0.63 -4.74 120.51 112.35 1dkl n ALA 105 Ca -0.03 -2.01 -0.42 0.00 0.00 0.00 0.00 53.44 50.97 1dkl n ALA 105 Cb 0.57 -1.15 -0.01 0.00 0.00 0.00 0.00 19.45 18.86 1dkl n ALA 105 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 1dkl n PRO 106 N 2.61 2.42 -0.94 0.00 -0.04 -1.12 -2.08 135.00 135.86 1dkl n PRO 106 Ca 0.21 0.86 0.00 0.00 -0.04 0.00 0.00 63.50 64.53 1dkl n PRO 106 Cb 0.54 -2.56 0.00 0.00 -0.04 0.00 0.00 33.50 31.44 1dkl n PRO 106 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 1dkl n ASP 107 N 1.51 -0.28 -4.90 3.54 10.43 -1.26 -5.01 116.55 120.58 1dkl n ASP 107 Ca 0.07 0.00 -0.32 0.00 2.57 0.00 0.00 54.79 57.11 1dkl n ASP 107 Cb 0.36 -0.38 -0.05 0.00 1.84 0.00 0.00 41.12 42.89 1dkl n ASP 107 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 1dkl s ALA 109 N -1.61 3.31 -0.17 0.00 0.00 -1.26 -4.97 121.76 117.06 1dkl s ALA 109 Ca 0.39 -2.10 0.01 0.00 0.00 0.00 0.00 51.96 50.26 1dkl s ALA 109 Cb -0.12 -3.66 0.01 0.00 0.00 0.00 0.00 23.12 19.35 1dkl s ALA 109 CO 0.24 -2.51 -0.19 0.42 0.00 0.00 0.00 175.76 173.71 1dkl s ILE 110 N 3.18 2.19 0.20 0.00 1.01 -1.26 -5.11 121.20 121.41 1dkl s ILE 110 Ca 0.16 -0.91 -0.30 0.00 0.00 0.00 0.00 60.65 59.59 1dkl s ILE 110 Cb -0.21 -1.91 -0.08 0.00 0.01 0.00 0.00 42.46 40.27 1dkl s ILE 110 CO 0.07 0.53 0.96 -0.89 0.00 0.00 0.00 174.94 175.61 1dkl s THR 111 N 1.13 4.18 -0.50 2.92 2.01 -1.26 -5.02 115.64 119.10 1dkl s THR 111 Ca 0.01 2.05 -0.17 0.00 0.31 0.00 0.00 61.69 63.89 1dkl s THR 111 Cb -0.14 -4.31 0.07 0.00 0.01 0.00 0.00 72.50 68.14 1dkl s THR 111 CO -0.08 0.43 0.50 -0.69 -0.69 0.00 0.00 174.62 174.09 1dkl s VAL 112 N -0.78 5.08 0.17 3.82 1.01 -1.26 -4.19 120.40 124.26 1dkl s VAL 112 Ca 0.43 -0.90 -0.30 0.00 0.00 0.00 0.00 61.98 61.21 1dkl s VAL 112 Cb -0.25 -4.23 -0.07 0.00 0.00 0.00 0.00 36.38 31.82 1dkl s VAL 112 CO 0.32 -0.72 0.99 -1.00 0.00 0.00 0.00 175.10 174.69 1dkl s HIS 113 N 2.05 3.82 0.18 5.22 3.76 -0.38 -4.90 115.29 125.04 1dkl s HIS 113 Ca 0.08 1.80 -0.10 0.00 -0.15 0.00 0.00 55.06 56.69 1dkl s HIS 113 Cb -0.23 -3.08 -0.01 0.00 1.11 0.00 0.00 32.58 30.37 1dkl s HIS 113 CO 0.08 0.11 0.33 0.95 -0.85 0.00 0.00 174.74 175.35 1dkl s THR 114 N -0.50 0.05 0.46 1.30 -4.23 -1.26 -1.00 115.64 110.46 1dkl s THR 114 Ca 0.45 -1.34 -0.24 0.00 -1.18 0.00 0.00 61.69 59.38 1dkl s THR 114 Cb -0.26 -1.88 -0.08 0.00 1.34 0.00 0.00 72.50 71.62 1dkl s THR 114 CO 0.32 -0.23 1.23 1.67 -0.54 0.00 0.00 174.62 177.07 1dkl n GLN 115 N -0.25 1.73 -0.14 3.99 7.27 -1.26 -4.89 117.38 123.83 1dkl n GLN 115 Ca -0.07 0.62 -0.09 0.00 0.07 0.00 0.00 57.00 57.54 1dkl n GLN 115 Cb 0.63 -2.36 -0.01 0.00 2.41 0.00 0.00 30.24 30.91 1dkl n GLN 115 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 1dkl h ALA 116 N 1.76 0.53 -1.42 1.69 0.00 -2.00 -3.34 119.26 116.48 1dkl h ALA 116 Ca -0.48 -0.14 -0.64 0.00 0.00 0.00 0.00 54.91 53.64 1dkl h ALA 116 Cb 1.31 -0.16 -0.13 0.00 0.00 0.00 0.00 17.79 18.81 1dkl h ALA 116 CO 0.58 0.14 1.30 0.34 0.00 0.00 0.00 179.25 181.61 1dkl s ASP 117 N -5.87 6.59 0.00 0.00 3.68 -1.26 -4.80 116.67 115.01 1dkl s ASP 117 Ca -0.13 -1.80 0.04 0.00 2.13 0.00 0.00 52.55 52.78 1dkl s ASP 117 Cb 0.10 -2.50 0.21 0.00 -1.45 0.00 0.00 42.92 39.28 1dkl s ASP 117 CO 0.75 -1.29 1.06 0.35 0.13 0.00 0.00 175.17 176.17 1dkl n THR 118 N 6.25 0.00 1.05 1.71 -2.24 -1.26 -2.85 114.28 116.94 1dkl n THR 118 Ca 0.31 0.00 0.11 0.00 -2.27 0.00 0.00 64.05 62.20 1dkl n THR 118 Cb 0.50 -0.10 0.06 0.00 -2.10 0.00 0.00 70.33 68.69 1dkl n THR 118 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 1dkl n SER 119 N -0.56 1.83 -4.34 3.42 3.41 -1.26 -4.82 113.62 111.30 1dkl n SER 119 Ca 0.03 -1.39 -0.24 0.00 -0.26 0.00 0.00 58.87 57.00 1dkl n SER 119 Cb 0.01 0.43 -0.12 0.00 -0.26 0.00 0.00 64.21 64.27 1dkl n SER 119 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 1dkl s SER 120 N -2.49 2.83 0.67 4.04 0.01 -1.13 -5.13 113.70 112.49 1dkl s SER 120 Ca 0.19 -0.79 -0.15 0.00 1.31 0.00 0.00 55.95 56.52 1dkl s SER 120 Cb 0.18 -0.17 0.00 0.00 0.21 0.00 0.00 66.02 66.24 1dkl s SER 120 CO 0.57 0.05 1.12 -2.16 0.41 0.00 0.00 173.24 173.22 1dkl s PRO 121 N -2.38 2.74 -0.37 12.44 0.04 -1.26 -4.91 135.00 141.30 1dkl s PRO 121 Ca 0.13 1.41 -0.14 0.00 0.04 0.00 0.00 61.00 62.44 1dkl s PRO 121 Cb -0.08 -1.94 0.00 0.00 0.04 0.00 0.00 34.50 32.52 1dkl s PRO 121 CO 0.06 -1.30 0.28 0.34 0.04 0.00 0.00 177.00 176.43 1dkl s ASP 122 N -2.56 6.10 0.58 6.66 3.68 -1.26 -4.98 116.67 124.89 1dkl s ASP 122 Ca 0.67 -0.62 0.35 0.00 2.13 0.00 0.00 52.55 55.08 1dkl s ASP 122 Cb -0.21 -2.16 1.90 0.00 -1.45 0.00 0.00 42.92 41.01 1dkl s ASP 122 CO 0.42 -0.35 2.06 1.55 0.13 0.00 0.00 175.17 178.98 1dkl h PRO 123 N 8.56 0.00 -0.98 4.34 0.13 -1.94 -2.40 132.00 139.71 1dkl h PRO 123 Ca -0.29 0.00 0.09 0.00 -0.87 0.00 0.00 66.00 64.93 1dkl h PRO 123 Cb 1.14 0.00 -0.08 0.00 0.13 0.00 0.00 31.00 32.19 1dkl h PRO 123 CO 0.69 0.00 0.62 1.25 -0.23 0.00 0.00 178.00 180.33 1dkl h LEU 124 N 0.00 0.94 0.00 1.56 7.12 -1.96 -1.66 115.31 121.31 1dkl h LEU 124 Ca 0.00 0.03 0.00 0.00 0.13 0.00 0.00 57.88 58.04 1dkl h LEU 124 Cb 0.18 -0.16 0.00 0.00 -0.53 0.00 0.00 40.66 40.15 1dkl h LEU 124 CO 0.00 0.55 -0.22 0.49 -0.13 0.00 0.00 178.44 179.13 1dkl n PHE 125 N -4.59 0.22 -2.82 1.25 3.01 -0.90 -4.06 117.46 109.57 1dkl n PHE 125 Ca 0.17 0.06 0.03 0.00 1.01 0.00 0.00 57.45 58.72 1dkl n PHE 125 Cb 0.28 -0.52 0.01 0.00 -0.01 0.00 0.00 39.48 39.23 1dkl n PHE 125 CO 0.00 0.00 0.00 1.21 1.01 0.00 0.00 176.76 178.98 1dkl s ASN 126 N -3.40 -0.20 0.59 4.37 2.47 -0.69 -4.89 114.94 113.18 1dkl s ASN 126 Ca 0.12 -0.07 0.38 0.00 0.42 0.00 0.00 52.86 53.70 1dkl s ASN 126 Cb 0.17 0.46 1.77 0.00 -1.45 0.00 0.00 41.25 42.20 1dkl s ASN 126 CO 0.61 -0.03 2.13 1.55 -3.72 0.00 0.00 177.10 177.64 1dkl h PRO 127 N 5.69 0.00 -0.29 0.43 0.13 -1.58 -2.63 132.00 133.75 1dkl h PRO 127 Ca -0.06 0.00 -0.13 0.00 -0.87 0.00 0.00 66.00 64.94 1dkl h PRO 127 Cb 1.23 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.34 1dkl h PRO 127 CO -0.10 0.00 -0.35 -0.07 -0.23 0.00 0.00 178.00 177.24 1dkl h LEU 128 N 0.00 0.67 -0.62 1.56 3.38 -1.89 -1.10 115.31 117.32 1dkl h LEU 128 Ca 0.00 -0.28 0.08 0.00 0.09 0.00 0.00 57.88 57.77 1dkl h LEU 128 Cb 0.31 -0.19 -0.06 0.00 0.09 0.00 0.00 40.66 40.81 1dkl h LEU 128 CO 0.00 0.97 0.28 0.50 0.09 0.00 0.00 178.44 180.28 1dkl h LYS 129 N 0.54 0.49 -0.15 1.13 1.63 -1.70 -2.26 116.57 116.25 1dkl h LYS 129 Ca 0.06 -0.03 0.00 0.00 -0.85 0.00 0.00 60.65 59.83 1dkl h LYS 129 Cb 0.86 -0.11 0.00 0.00 -0.60 0.00 0.00 32.23 32.38 1dkl h LYS 129 CO 0.07 0.32 0.00 0.25 -3.45 0.00 0.00 179.45 176.65 1dkl n THR 130 N -4.92 0.18 -1.51 1.00 -2.24 -1.20 -4.95 114.28 100.64 1dkl n THR 130 Ca 0.08 -0.43 -0.01 0.00 -2.27 0.00 0.00 64.05 61.43 1dkl n THR 130 Cb 0.24 0.72 -0.00 0.00 -2.10 0.00 0.00 70.33 69.19 1dkl n THR 130 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1dkl n GLY 131 N 1.26 0.39 0.27 3.38 0.00 -0.85 -4.93 105.19 104.71 1dkl n GLY 131 Ca 0.17 -0.97 -0.07 0.00 0.00 0.00 0.00 46.02 45.15 1dkl n GLY 131 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1dkl h VAL 132 N 0.00 1.26 -3.52 1.61 2.07 -1.45 -3.46 116.25 112.76 1dkl h VAL 132 Ca -0.01 -1.25 -0.05 0.00 0.82 0.00 0.00 66.70 66.20 1dkl h VAL 132 Cb 0.52 1.09 -0.07 0.00 -1.52 0.00 0.00 31.29 31.31 1dkl h VAL 132 CO 0.02 0.43 -0.03 0.00 0.02 0.00 0.00 177.57 178.01 1dkl s GLN 134 N -3.74 1.35 0.36 0.00 -0.21 -1.26 -4.44 119.66 111.72 1dkl s GLN 134 Ca 0.21 -1.66 -0.09 0.00 0.02 0.00 0.00 55.36 53.84 1dkl s GLN 134 Cb -0.02 -0.86 -0.06 0.00 1.00 0.00 0.00 33.01 33.07 1dkl s GLN 134 CO 0.10 0.02 0.69 -0.51 -2.12 0.00 0.00 175.29 173.47 1dkl s LEU 135 N -3.33 3.93 -0.52 2.90 1.43 0.49 -5.02 118.68 118.57 1dkl s LEU 135 Ca 0.26 0.99 -0.21 0.00 -1.03 0.00 0.00 54.13 54.13 1dkl s LEU 135 Cb 0.03 -3.84 0.05 0.00 0.03 0.00 0.00 46.19 42.47 1dkl s LEU 135 CO 0.08 -0.31 0.74 -0.62 0.23 0.00 0.00 176.35 176.47 1dkl s ASP 136 N -3.10 6.27 0.20 2.29 2.15 -1.26 -4.69 116.67 118.53 1dkl s ASP 136 Ca 0.49 -0.69 -0.13 0.00 0.43 0.00 0.00 52.55 52.65 1dkl s ASP 136 Cb -0.10 -2.34 0.23 0.00 -0.30 0.00 0.00 42.92 40.40 1dkl s ASP 136 CO 0.30 -1.01 1.66 0.78 -0.17 0.00 0.00 175.17 176.73 1dkl h ASN 137 N 9.10 -0.35 -0.22 -0.34 -0.26 -1.95 -0.07 115.58 121.49 1dkl h ASN 137 Ca -0.27 0.15 -0.04 0.00 -0.56 0.00 0.00 56.30 55.58 1dkl h ASN 137 Cb 1.09 0.28 -0.01 0.00 -1.06 0.00 0.00 38.32 38.62 1dkl h ASN 137 CO 1.01 -0.13 -0.01 0.00 -1.06 0.00 0.00 177.43 177.23 1dkl h ALA 138 N 1.53 0.30 -0.58 -0.83 0.00 -1.98 -1.41 119.26 116.28 1dkl h ALA 138 Ca 0.28 -0.22 -0.09 0.00 0.00 0.00 0.00 54.91 54.88 1dkl h ALA 138 Cb 0.45 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.13 1dkl h ALA 138 CO -0.52 0.04 0.01 -0.97 0.00 0.00 0.00 179.25 177.81 1dkl h ASN 139 N 0.16 0.99 -0.59 0.00 -0.00 -1.93 -1.47 115.58 112.74 1dkl h ASN 139 Ca 0.06 -0.27 -0.09 0.00 -0.00 0.00 0.00 56.30 56.00 1dkl h ASN 139 Cb 0.43 -0.26 -0.02 0.00 -0.00 0.00 0.00 38.32 38.46 1dkl h ASN 139 CO 0.01 1.04 0.01 0.58 -0.00 0.00 0.00 177.43 179.07 1dkl h VAL 140 N 0.93 1.26 -0.07 2.57 2.07 -0.98 -1.38 116.25 120.65 1dkl h VAL 140 Ca 0.17 -1.13 -0.00 0.00 0.82 0.00 0.00 66.70 66.56 1dkl h VAL 140 Cb 0.53 0.83 -0.00 0.00 -1.52 0.00 0.00 31.29 31.13 1dkl h VAL 140 CO 0.03 0.41 0.03 0.74 0.02 0.00 0.00 177.57 178.80 1dkl h THR 141 N 0.92 1.12 -0.60 2.57 2.02 -1.03 -1.10 112.91 116.81 1dkl h THR 141 Ca 0.17 -0.36 -0.04 0.00 0.77 0.00 0.00 66.41 66.95 1dkl h THR 141 Cb 0.54 1.24 -0.03 0.00 -1.74 0.00 0.00 68.15 68.16 1dkl h THR 141 CO 0.03 0.10 0.22 0.44 0.37 0.00 0.00 175.52 176.68 1dkl h ASP 142 N -0.03 0.85 -0.38 4.18 3.32 -1.20 -0.96 116.42 122.20 1dkl h ASP 142 Ca 0.02 -0.19 -0.01 0.00 0.02 0.00 0.00 57.03 56.87 1dkl h ASP 142 Cb 0.14 -0.22 -0.02 0.00 0.22 0.00 0.00 39.33 39.45 1dkl h ASP 142 CO -0.00 0.81 0.18 0.00 -1.72 0.00 0.00 179.24 178.51 1dkl h ALA 143 N 1.07 0.49 -0.30 3.45 0.00 -1.15 -1.27 119.26 121.55 1dkl h ALA 143 Ca 0.20 -0.11 -0.14 0.00 0.00 0.00 0.00 54.91 54.86 1dkl h ALA 143 Cb 0.24 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 17.88 1dkl h ALA 143 CO -0.01 0.06 -0.35 0.82 0.00 0.00 0.00 179.25 179.76 1dkl h ILE 144 N 0.48 1.29 -0.77 0.00 2.04 -1.08 -1.98 117.51 117.49 1dkl h ILE 144 Ca 0.13 -1.53 -0.02 0.00 1.00 0.00 0.00 64.86 64.44 1dkl h ILE 144 Cb 0.12 1.57 -0.04 0.00 -0.74 0.00 0.00 36.82 37.74 1dkl h ILE 144 CO -0.02 0.50 0.42 -0.07 0.00 0.00 0.00 178.15 178.98 1dkl h LEU 145 N 0.53 0.96 -0.17 1.44 4.07 -1.12 -1.87 115.31 119.15 1dkl h LEU 145 Ca 0.04 -0.08 -0.02 0.00 0.08 0.00 0.00 57.88 57.90 1dkl h LEU 145 Cb 0.94 -0.24 -0.01 0.00 1.08 0.00 0.00 40.66 42.43 1dkl h LEU 145 CO 0.09 0.77 0.02 -1.28 -1.08 0.00 0.00 178.44 176.96 1dkl h SER 146 N 1.08 0.28 0.54 -0.43 0.87 -1.05 0.06 113.55 114.90 1dkl h SER 146 Ca 0.27 -0.27 -0.00 0.00 -1.23 0.00 0.00 61.79 60.56 1dkl h SER 146 Cb 0.03 -0.08 -0.00 0.00 -0.44 0.00 0.00 62.40 61.91 1dkl h SER 146 CO -0.04 0.48 -0.01 0.03 -0.53 0.00 0.00 176.83 176.76 1dkl h ARG 147 N 0.07 0.00 -0.00 2.24 3.08 -1.16 -1.18 114.38 117.44 1dkl h ARG 147 Ca 0.05 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.10 1dkl h ARG 147 Cb 0.32 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.37 1dkl h ARG 147 CO 0.00 0.01 -0.08 0.00 -1.07 0.00 0.00 179.97 178.83 1dkl n ALA 148 N -2.09 2.60 -0.12 0.04 0.00 -0.72 -4.90 120.51 115.32 1dkl n ALA 148 Ca -0.01 -0.18 0.00 0.00 0.00 0.00 0.00 53.44 53.25 1dkl n ALA 148 Cb 0.20 -1.41 0.00 0.00 0.00 0.00 0.00 19.45 18.24 1dkl n ALA 148 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1dkl n GLY 149 N 1.39 0.94 0.00 0.00 0.00 -0.44 -3.24 105.19 103.83 1dkl n GLY 149 Ca 0.11 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.12 1dkl n GLY 149 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1dkl n GLY 150 N -2.12 2.89 3.57 -0.02 0.00 -0.03 -4.89 105.19 104.59 1dkl n GLY 150 Ca 0.00 -1.06 -0.10 0.00 0.00 0.00 0.00 46.02 44.86 1dkl n GLY 150 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1dkl s SER 151 N -0.07 -0.38 0.38 1.61 1.04 -1.25 -4.77 113.70 110.25 1dkl s SER 151 Ca 0.00 -0.32 0.18 0.00 0.48 0.00 0.00 55.95 56.28 1dkl s SER 151 Cb 0.00 0.63 0.72 0.00 0.10 0.00 0.00 66.02 67.47 1dkl s SER 151 CO 0.00 -1.10 1.77 0.40 0.98 0.00 0.00 173.24 175.29 1dkl h ILE 152 N 2.07 0.99 -0.40 -1.02 1.08 -1.89 -1.64 117.51 116.70 1dkl h ILE 152 Ca -0.28 -1.46 -0.02 0.00 -0.39 0.00 0.00 64.86 62.71 1dkl h ILE 152 Cb 1.28 1.85 -0.02 0.00 -3.07 0.00 0.00 36.82 36.86 1dkl h ILE 152 CO 0.34 0.37 0.17 0.00 -0.69 0.00 0.00 178.15 178.34 1dkl h ALA 153 N 1.62 0.51 -0.44 1.87 0.00 -1.95 0.11 119.26 120.99 1dkl h ALA 153 Ca -0.00 -0.13 -0.03 0.00 0.00 0.00 0.00 54.91 54.75 1dkl h ALA 153 Cb 0.82 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.44 1dkl h ALA 153 CO 0.05 0.10 0.17 -0.44 0.00 0.00 0.00 179.25 179.14 1dkl h ASP 154 N 0.50 0.60 -0.31 0.00 3.45 -1.80 0.34 116.42 119.21 1dkl h ASP 154 Ca 0.13 -0.17 0.06 0.00 0.43 0.00 0.00 57.03 57.48 1dkl h ASP 154 Cb 0.17 -0.16 -0.05 0.00 -0.56 0.00 0.00 39.33 38.73 1dkl h ASP 154 CO -0.01 0.61 -0.01 0.15 -1.57 0.00 0.00 179.24 178.41 1dkl h PHE 155 N 0.56 -0.03 -0.22 4.55 3.57 -0.85 -1.61 116.94 122.91 1dkl h PHE 155 Ca 0.15 0.02 -0.15 0.00 3.53 0.00 0.00 57.97 61.52 1dkl h PHE 155 Cb 0.19 0.06 -0.01 0.00 2.79 0.00 0.00 35.95 38.99 1dkl h PHE 155 CO 0.00 -0.06 -0.48 0.00 -2.23 0.00 0.00 178.31 175.54 1dkl h THR 156 N 0.08 1.31 -0.71 4.41 1.03 -0.53 -3.22 112.91 115.28 1dkl h THR 156 Ca 0.15 -1.69 -0.01 0.00 -0.01 0.00 0.00 66.41 64.85 1dkl h THR 156 Cb 0.20 1.66 -0.03 0.00 -1.07 0.00 0.00 68.15 68.91 1dkl h THR 156 CO -0.26 0.53 0.41 1.23 -0.01 0.00 0.00 175.52 177.43 1dkl h GLY 157 N 1.03 1.04 1.32 2.99 0.00 0.30 -2.12 103.07 107.63 1dkl h GLY 157 Ca 0.02 -0.45 0.00 0.00 0.00 0.00 0.00 47.33 46.91 1dkl h GLY 157 CO 0.09 0.43 0.00 1.42 0.00 0.00 0.00 176.54 178.49 1dkl n HIS 158 N -4.52 0.00 -1.48 5.60 -0.00 -0.66 -3.31 115.22 110.85 1dkl n HIS 158 Ca 0.06 0.00 0.07 0.00 -0.00 0.00 0.00 57.72 57.85 1dkl n HIS 158 Cb 0.07 -0.16 0.16 0.00 -0.00 0.00 0.00 29.99 30.06 1dkl n HIS 158 CO 0.00 0.00 0.00 0.54 -0.00 0.00 0.00 176.34 176.88 1dkl n ARG 159 N -1.16 1.28 0.09 -0.41 1.74 -0.80 -4.77 116.66 112.63 1dkl n ARG 159 Ca 0.12 -2.82 0.09 0.00 -0.77 0.00 0.00 57.85 54.47 1dkl n ARG 159 Cb 0.12 -1.40 0.55 0.00 -1.02 0.00 0.00 32.46 30.71 1dkl n ARG 159 CO 0.00 0.00 0.00 1.96 -1.52 0.00 0.00 177.63 178.07 1dkl h GLN 160 N 0.57 0.25 -0.32 5.56 1.08 -1.54 -1.97 115.11 118.73 1dkl h GLN 160 Ca -0.02 -0.01 0.06 0.00 -1.45 0.00 0.00 58.65 57.23 1dkl h GLN 160 Cb 1.08 -0.06 -0.06 0.00 -0.05 0.00 0.00 27.48 28.40 1dkl h GLN 160 CO 0.01 0.16 -0.09 1.15 -0.95 0.00 0.00 178.83 179.12 1dkl h THR 161 N 0.26 0.67 -0.43 -0.54 2.02 -1.89 0.20 112.91 113.19 1dkl h THR 161 Ca 0.12 0.00 -0.14 0.00 0.77 0.00 0.00 66.41 67.17 1dkl h THR 161 Cb 0.18 0.67 -0.01 0.00 -1.74 0.00 0.00 68.15 67.25 1dkl h THR 161 CO -0.02 0.00 -0.26 0.00 0.37 0.00 0.00 175.52 175.60 1dkl h ALA 162 N 1.30 0.62 -0.69 6.16 0.00 -1.66 -2.22 119.26 122.77 1dkl h ALA 162 Ca 0.15 -0.41 -0.04 0.00 0.00 0.00 0.00 54.91 54.62 1dkl h ALA 162 Cb 0.24 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 17.86 1dkl h ALA 162 CO -0.33 0.63 0.29 0.74 0.00 0.00 0.00 179.25 180.58 1dkl h PHE 163 N 0.78 1.02 -0.48 0.00 0.04 -0.98 -0.65 116.94 116.67 1dkl h PHE 163 Ca 0.09 -0.06 -0.13 0.00 2.80 0.00 0.00 57.97 60.67 1dkl h PHE 163 Cb 0.84 -0.31 -0.01 0.00 2.20 0.00 0.00 35.95 38.67 1dkl h PHE 163 CO 0.06 0.77 -0.22 0.00 -0.60 0.00 0.00 178.31 178.32 1dkl h ARG 164 N 0.99 0.99 -0.85 1.51 3.08 -0.54 -0.29 114.38 119.27 1dkl h ARG 164 Ca 0.23 -0.43 0.03 0.00 0.07 0.00 0.00 59.98 59.89 1dkl h ARG 164 Cb 0.17 -0.03 -0.05 0.00 0.08 0.00 0.00 29.97 30.14 1dkl h ARG 164 CO -0.02 1.10 0.55 1.49 -1.07 0.00 0.00 179.97 182.02 1dkl h GLU 165 N 0.84 1.03 -0.25 0.04 4.57 -0.84 0.25 114.58 120.23 1dkl h GLU 165 Ca 0.11 -0.06 -0.03 0.00 -1.18 0.00 0.00 59.36 58.20 1dkl h GLU 165 Cb 0.80 -0.23 -0.01 0.00 -0.16 0.00 0.00 28.75 29.15 1dkl h GLU 165 CO 0.07 0.68 0.04 1.25 -1.18 0.00 0.00 179.01 179.87 1dkl h LEU 166 N 1.06 0.39 -0.57 1.64 5.85 -0.73 -1.85 115.31 121.10 1dkl h LEU 166 Ca 0.34 -0.26 0.07 0.00 0.84 0.00 0.00 57.88 58.87 1dkl h LEU 166 Cb 0.01 -0.10 -0.06 0.00 0.37 0.00 0.00 40.66 40.88 1dkl h LEU 166 CO -0.12 0.55 0.24 -0.33 -0.34 0.00 0.00 178.44 178.44 1dkl h GLU 167 N 0.21 0.43 -0.17 1.25 5.08 -0.48 -0.99 114.58 119.91 1dkl h GLU 167 Ca 0.07 -0.03 0.05 0.00 -1.00 0.00 0.00 59.36 58.46 1dkl h GLU 167 Cb 0.33 -0.10 -0.05 0.00 0.50 0.00 0.00 28.75 29.43 1dkl h GLU 167 CO 0.00 0.29 -0.15 -0.09 -1.00 0.00 0.00 179.01 178.06 1dkl h ARG 168 N 0.45 -0.16 -0.36 2.33 1.12 -0.70 0.29 114.38 117.34 1dkl h ARG 168 Ca 0.27 0.01 0.01 0.00 -1.11 0.00 0.00 59.98 59.17 1dkl h ARG 168 Cb 0.28 0.04 -0.02 0.00 -0.01 0.00 0.00 29.97 30.26 1dkl h ARG 168 CO -0.25 -0.11 0.24 0.28 -3.11 0.00 0.00 179.97 177.02 1dkl h VAL 169 N -0.17 1.07 0.00 0.20 2.07 -0.59 -1.89 116.25 116.95 1dkl h VAL 169 Ca 0.11 -0.16 0.00 0.00 0.82 0.00 0.00 66.70 67.47 1dkl h VAL 169 Cb 0.33 0.58 0.00 0.00 -1.52 0.00 0.00 31.29 30.68 1dkl h VAL 169 CO -0.27 0.08 -0.48 -0.07 0.02 0.00 0.00 177.57 176.85 1dkl h LEU 170 N 0.45 0.00 -1.68 2.57 3.38 -0.22 -3.46 115.31 116.35 1dkl h LEU 170 Ca 0.13 -0.07 -0.34 0.00 0.09 0.00 0.00 57.88 57.70 1dkl h LEU 170 Cb -0.01 0.00 0.16 0.00 0.09 0.00 0.00 40.66 40.90 1dkl h LEU 170 CO -0.03 0.04 -0.78 -3.20 0.09 0.00 0.00 178.44 174.56 1dkl n ASN 171 N -2.51 -2.05 -0.17 -0.43 5.15 0.90 -4.23 115.26 111.92 1dkl n ASN 171 Ca 0.03 -0.64 -0.02 0.00 -0.60 0.00 0.00 54.58 53.36 1dkl n ASN 171 Cb 0.49 -5.04 0.08 0.00 -0.53 0.00 0.00 39.78 34.78 1dkl n ASN 171 CO 0.00 0.00 0.00 0.15 1.40 0.00 0.00 177.26 178.81 1dkl h PHE 172 N -1.88 0.20 0.00 1.20 3.57 -1.49 -2.50 116.94 116.03 1dkl h PHE 172 Ca -0.59 0.03 0.00 0.00 3.53 0.00 0.00 57.97 60.94 1dkl h PHE 172 Cb 1.34 -0.01 0.00 0.00 2.79 0.00 0.00 35.95 40.07 1dkl h PHE 172 CO 0.44 0.01 0.24 -1.00 -2.23 0.00 0.00 178.31 175.77 1dkl h PRO 173 N 0.27 0.00 -0.46 6.41 0.13 -1.90 -0.28 132.00 136.17 1dkl h PRO 173 Ca 0.27 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.40 1dkl h PRO 173 Cb 0.36 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.49 1dkl h PRO 173 CO -0.33 0.00 0.00 1.04 -0.23 0.00 0.00 178.00 178.48 1dkl n GLN 174 N -2.14 2.95 -3.27 0.86 1.13 -0.94 -4.57 117.38 111.40 1dkl n GLN 174 Ca -0.01 -2.37 -0.23 0.00 -1.94 0.00 0.00 57.00 52.45 1dkl n GLN 174 Cb 0.27 -1.47 -0.01 0.00 0.11 0.00 0.00 30.24 29.15 1dkl n GLN 174 CO 0.00 0.00 0.00 -1.54 -1.44 0.00 0.00 177.06 174.08 1dkl s SER 175 N -1.09 6.16 0.54 1.08 1.04 -0.12 -4.40 113.70 116.92 1dkl s SER 175 Ca 0.34 0.39 0.25 0.00 0.48 0.00 0.00 55.95 57.41 1dkl s SER 175 Cb 0.20 -1.87 1.43 0.00 0.10 0.00 0.00 66.02 65.88 1dkl s SER 175 CO 0.20 -0.41 2.03 0.78 0.98 0.00 0.00 173.24 176.81 1dkl h ASN 176 N 0.66 0.00 0.00 7.02 2.35 -1.86 -1.01 115.58 122.74 1dkl h ASN 176 Ca -0.49 0.00 -0.11 0.00 -0.55 0.00 0.00 56.30 55.15 1dkl h ASN 176 Cb 1.23 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 39.59 1dkl h ASN 176 CO 0.60 0.00 -0.35 0.25 -1.65 0.00 0.00 177.43 176.28 1dkl h LEU 177 N 0.00 0.50 0.10 1.61 5.85 -1.70 -1.52 115.31 120.14 1dkl h LEU 177 Ca 0.19 -0.20 -0.22 0.00 0.84 0.00 0.00 57.88 58.49 1dkl h LEU 177 Cb 0.81 -0.14 0.00 0.00 0.37 0.00 0.00 40.66 41.70 1dkl h LEU 177 CO -0.00 0.81 -1.10 0.00 -0.34 0.00 0.00 178.44 177.81 1dkl h LEU 179 N -0.47 -0.36 -1.46 0.00 3.38 -1.28 -2.23 115.31 112.90 1dkl h LEU 179 Ca -0.24 0.03 0.00 0.00 0.09 0.00 0.00 57.88 57.76 1dkl h LEU 179 Cb 1.60 0.11 0.00 0.00 0.09 0.00 0.00 40.66 42.47 1dkl h LEU 179 CO 0.05 -0.19 0.00 0.29 0.09 0.00 0.00 178.44 178.68 1dkl n LYS 180 N -3.10 0.45 0.00 1.13 5.02 -0.57 -5.09 118.16 116.00 1dkl n LYS 180 Ca -0.04 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.25 1dkl n LYS 180 Cb 0.13 -1.25 0.00 0.00 -0.02 0.00 0.00 35.03 33.89 1dkl n LYS 180 CO 0.00 0.00 0.00 -2.13 -0.52 0.00 0.00 177.40 174.75 1dkl n ARG 181 N 0.50 0.00 0.00 1.97 0.63 -0.84 -4.98 116.66 113.94 1dkl n ARG 181 Ca 0.00 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.93 1dkl n ARG 181 Cb 0.16 0.00 0.00 0.00 0.45 0.00 0.00 32.46 33.07 1dkl n ARG 181 CO 0.00 0.00 0.00 0.45 -2.51 0.00 0.00 177.63 175.57 1dkl n SER 187 N 0.00 0.00 -4.49 6.15 2.88 -1.26 -5.10 113.62 111.79 1dkl n SER 187 Ca 0.00 0.00 -0.43 0.00 -1.33 0.00 0.00 58.87 57.11 1dkl n SER 187 Cb 0.00 -0.91 -0.06 0.00 -0.75 0.00 0.00 64.21 62.49 1dkl n SER 187 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1dkl s SER 189 N 2.28 3.66 0.15 0.00 0.15 -1.26 -4.93 113.70 113.75 1dkl s SER 189 Ca 0.21 -0.33 -0.13 0.00 0.70 0.00 0.00 55.95 56.40 1dkl s SER 189 Cb -0.16 -0.87 0.02 0.00 -1.71 0.00 0.00 66.02 63.30 1dkl s SER 189 CO 0.17 0.29 1.62 0.25 1.20 0.00 0.00 173.24 176.77 1dkl h LEU 190 N 5.71 0.80 -0.75 3.45 5.85 -1.96 0.21 115.31 128.62 1dkl h LEU 190 Ca -0.40 -0.28 0.00 0.00 0.84 0.00 0.00 57.88 58.04 1dkl h LEU 190 Cb 1.16 -0.21 0.00 0.00 0.37 0.00 0.00 40.66 41.98 1dkl h LEU 190 CO 0.50 0.88 0.00 0.71 -0.34 0.00 0.00 178.44 180.19 1dkl h THR 191 N 0.69 0.00 0.20 1.05 1.35 -1.96 -2.12 112.91 112.12 1dkl h THR 191 Ca 0.14 -0.74 -0.34 0.00 -0.55 0.00 0.00 66.41 64.93 1dkl h THR 191 Cb 0.44 1.73 0.02 0.00 -1.73 0.00 0.00 68.15 68.61 1dkl h THR 191 CO 0.02 0.00 -1.58 1.56 -0.25 0.00 0.00 175.52 175.27 1dkl h GLN 192 N 0.00 0.43 -0.08 4.72 1.08 -1.88 -3.33 115.11 116.06 1dkl h GLN 192 Ca 0.00 -0.74 -0.17 0.00 -1.45 0.00 0.00 58.65 56.29 1dkl h GLN 192 Cb 0.74 0.28 -0.01 0.00 -0.05 0.00 0.00 27.48 28.44 1dkl h GLN 192 CO 0.00 1.34 -0.67 0.00 -0.95 0.00 0.00 178.83 178.55 1dkl h ALA 193 N 0.21 0.71 -2.65 3.87 0.00 -0.50 -3.37 119.26 117.53 1dkl h ALA 193 Ca -0.28 -0.58 -0.61 0.00 0.00 0.00 0.00 54.91 53.44 1dkl h ALA 193 Cb 2.11 -0.07 -0.41 0.00 0.00 0.00 0.00 17.79 19.42 1dkl h ALA 193 CO 0.22 0.75 -0.67 1.28 0.00 0.00 0.00 179.25 180.83 1dkl n LEU 194 N -3.85 2.54 -4.57 0.00 7.99 -0.81 -5.05 117.00 113.26 1dkl n LEU 194 Ca -0.03 -5.13 -0.44 0.00 -0.01 0.00 0.00 56.01 50.40 1dkl n LEU 194 Cb 0.67 -0.45 -0.01 0.00 -0.11 0.00 0.00 43.42 43.52 1dkl n LEU 194 CO 0.46 1.88 0.49 -0.81 -1.51 0.00 0.00 177.39 177.91 1dkl n PRO 195 N 1.72 1.21 -4.34 3.23 -0.04 -1.25 -0.84 135.00 134.69 1dkl n PRO 195 Ca 0.24 0.43 -0.34 0.00 -0.04 0.00 0.00 63.50 63.79 1dkl n PRO 195 Cb 0.40 -1.81 -0.11 0.00 -0.04 0.00 0.00 33.50 31.94 1dkl n PRO 195 CO 0.00 0.00 0.00 -1.12 -0.04 0.00 0.00 175.50 174.34 1dkl s SER 196 N -0.66 5.05 0.13 3.54 0.01 -1.26 -3.81 113.70 116.69 1dkl s SER 196 Ca 0.60 -0.02 0.06 0.00 1.31 0.00 0.00 55.95 57.91 1dkl s SER 196 Cb -0.67 -1.70 -0.04 0.00 0.21 0.00 0.00 66.02 63.82 1dkl s SER 196 CO 0.59 0.23 -0.15 -1.61 0.41 0.00 0.00 173.24 172.71 1dkl s GLU 197 N -0.02 1.06 -0.16 12.44 2.02 -1.26 -4.79 118.70 128.00 1dkl s GLU 197 Ca 0.02 -1.25 -0.17 0.00 0.02 0.00 0.00 54.97 53.60 1dkl s GLU 197 Cb -0.13 -1.01 -0.04 0.00 0.10 0.00 0.00 34.13 33.05 1dkl s GLU 197 CO 0.02 0.20 0.42 -1.17 0.02 0.00 0.00 175.26 174.75 1dkl s LEU 198 N -2.42 4.22 -0.26 1.80 2.96 -1.26 -1.72 118.68 122.00 1dkl s LEU 198 Ca 0.09 0.64 -0.02 0.00 -0.22 0.00 0.00 54.13 54.63 1dkl s LEU 198 Cb -0.06 -2.58 0.03 0.00 0.50 0.00 0.00 46.19 44.08 1dkl s LEU 198 CO 0.04 -0.03 -0.04 -0.54 -1.32 0.00 0.00 176.35 174.46 1dkl s LYS 199 N 0.93 2.79 -0.13 1.98 -0.14 0.07 -5.01 119.74 120.24 1dkl s LYS 199 Ca 0.22 -1.01 0.00 0.00 -1.36 0.00 0.00 55.97 53.82 1dkl s LYS 199 Cb -0.15 -3.05 -0.01 0.00 -1.68 0.00 0.00 37.83 32.95 1dkl s LYS 199 CO 0.08 -0.44 -0.15 0.08 -0.76 0.00 0.00 175.35 174.17 1dkl s VAL 200 N 1.33 2.86 0.18 3.17 1.01 -1.26 -1.35 120.40 126.35 1dkl s VAL 200 Ca -0.00 -0.72 0.02 0.00 0.00 0.00 0.00 61.98 61.27 1dkl s VAL 200 Cb -0.17 -2.20 -0.05 0.00 0.00 0.00 0.00 36.38 33.97 1dkl s VAL 200 CO -0.03 0.52 0.02 -0.94 0.00 0.00 0.00 175.10 174.67 1dkl s SER 201 N 0.48 1.15 0.55 3.32 1.04 0.32 -5.02 113.70 115.54 1dkl s SER 201 Ca -0.10 -1.20 0.24 0.00 0.48 0.00 0.00 55.95 55.37 1dkl s SER 201 Cb -0.16 0.14 1.44 0.00 0.10 0.00 0.00 66.02 67.54 1dkl s SER 201 CO 0.05 -0.60 2.06 0.00 0.98 0.00 0.00 173.24 175.72 1dkl h ALA 202 N 2.66 2.19 -0.07 5.32 0.00 -1.99 -2.60 119.26 124.77 1dkl h ALA 202 Ca -0.37 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.53 1dkl h ALA 202 Cb 1.21 0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.02 1dkl h ALA 202 CO 0.62 -0.41 0.00 -0.40 0.00 0.00 0.00 179.25 179.06 1dkl n ASP 203 N -4.24 1.91 -3.52 0.00 3.85 -1.26 -0.38 116.55 112.91 1dkl n ASP 203 Ca 0.05 -1.49 -0.10 0.00 -0.71 0.00 0.00 54.79 52.53 1dkl n ASP 203 Cb 0.41 -0.04 -0.03 0.00 -1.35 0.00 0.00 41.12 40.11 1dkl n ASP 203 CO 0.00 0.00 0.00 0.21 -1.01 0.00 0.00 177.20 176.40 1dkl s ASN 204 N -0.76 -0.41 -0.02 -1.12 2.47 -0.98 -4.54 114.94 109.59 1dkl s ASN 204 Ca 0.11 0.18 0.02 0.00 0.42 0.00 0.00 52.86 53.59 1dkl s ASN 204 Cb 0.07 0.39 0.00 0.00 -1.45 0.00 0.00 41.25 40.27 1dkl s ASN 204 CO 0.11 -0.57 -0.05 0.68 -3.72 0.00 0.00 177.10 173.54 1dkl s VAL 205 N -2.42 0.48 0.18 -5.21 -7.23 -1.26 -0.52 120.40 104.42 1dkl s VAL 205 Ca 0.01 -0.20 -0.13 0.00 -1.81 0.00 0.00 61.98 59.85 1dkl s VAL 205 Cb -0.01 -0.45 0.01 0.00 0.56 0.00 0.00 36.38 36.50 1dkl s VAL 205 CO -0.04 0.16 0.39 -0.94 -0.31 0.00 0.00 175.10 174.36 1dkl s SER 206 N 0.22 -0.09 0.07 4.85 1.04 -0.45 -5.01 113.70 114.32 1dkl s SER 206 Ca -0.02 -0.69 0.10 0.00 0.48 0.00 0.00 55.95 55.81 1dkl s SER 206 Cb -0.07 0.50 -0.03 0.00 0.10 0.00 0.00 66.02 66.52 1dkl s SER 206 CO -0.00 -0.97 -0.26 -0.76 0.98 0.00 0.00 173.24 172.23 1dkl s LEU 207 N -2.92 2.22 0.00 2.42 1.43 -1.26 -0.75 118.68 119.82 1dkl s LEU 207 Ca 0.13 -0.63 0.03 0.00 -1.03 0.00 0.00 54.13 52.64 1dkl s LEU 207 Cb 0.01 -1.28 0.03 0.00 0.03 0.00 0.00 46.19 44.99 1dkl s LEU 207 CO -0.01 0.24 0.27 0.35 0.23 0.00 0.00 176.35 177.42 1dkl n THR 208 N 1.53 0.00 -4.84 5.49 -2.24 -0.70 -4.48 114.28 109.05 1dkl n THR 208 Ca -0.17 -1.45 0.00 0.00 -2.27 0.00 0.00 64.05 60.16 1dkl n THR 208 Cb 0.52 -0.18 0.00 0.00 -2.10 0.00 0.00 70.33 68.57 1dkl n THR 208 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1dkl n GLY 209 N 0.61 1.46 0.20 3.38 0.00 -1.25 -3.82 105.19 105.78 1dkl n GLY 209 Ca -0.02 -0.60 -0.07 0.00 0.00 0.00 0.00 46.02 45.33 1dkl n GLY 209 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1dkl h ALA 210 N -0.84 0.05 -0.14 4.61 0.00 -1.20 -1.26 119.26 120.48 1dkl h ALA 210 Ca 0.00 0.10 0.05 0.00 0.00 0.00 0.00 54.91 55.05 1dkl h ALA 210 Cb 0.00 0.34 -0.06 0.00 0.00 0.00 0.00 17.79 18.07 1dkl h ALA 210 CO 0.00 -0.55 -0.27 0.28 0.00 0.00 0.00 179.25 178.71 1dkl h VAL 211 N -0.12 0.37 -0.25 0.00 2.07 -1.85 0.56 116.25 117.02 1dkl h VAL 211 Ca 0.14 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.65 1dkl h VAL 211 Cb 0.33 0.37 -0.01 0.00 -1.52 0.00 0.00 31.29 30.46 1dkl h VAL 211 CO -0.33 0.00 0.11 -1.28 0.02 0.00 0.00 177.57 176.09 1dkl h SER 212 N -0.33 0.34 -0.21 0.57 0.87 -1.62 -0.15 113.55 113.01 1dkl h SER 212 Ca 0.10 -0.15 -0.00 0.00 -1.23 0.00 0.00 61.79 60.51 1dkl h SER 212 Cb 0.49 -0.09 -0.01 0.00 -0.44 0.00 0.00 62.40 62.35 1dkl h SER 212 CO -0.33 0.40 0.12 0.25 -0.53 0.00 0.00 176.83 176.74 1dkl h LEU 213 N 0.26 0.27 -1.06 2.23 7.12 -0.90 -2.29 115.31 120.93 1dkl h LEU 213 Ca 0.08 -0.09 0.01 0.00 0.13 0.00 0.00 57.88 58.02 1dkl h LEU 213 Cb 0.16 -0.07 -0.05 0.00 -0.53 0.00 0.00 40.66 40.17 1dkl h LEU 213 CO -0.01 0.28 0.63 0.00 -0.13 0.00 0.00 178.44 179.21 1dkl h ALA 214 N 1.00 1.33 -0.65 1.25 0.00 0.26 0.22 119.26 122.67 1dkl h ALA 214 Ca 0.07 -0.06 -0.03 0.00 0.00 0.00 0.00 54.91 54.89 1dkl h ALA 214 Cb 0.07 -0.38 -0.03 0.00 0.00 0.00 0.00 17.79 17.45 1dkl h ALA 214 CO -0.01 0.61 0.27 1.03 0.00 0.00 0.00 179.25 181.15 1dkl h SER 215 N 1.28 0.89 -0.10 0.00 0.87 -0.84 -1.20 113.55 114.45 1dkl h SER 215 Ca 0.36 -0.16 -0.04 0.00 -1.23 0.00 0.00 61.79 60.72 1dkl h SER 215 Cb -0.12 -0.23 -0.00 0.00 -0.44 0.00 0.00 62.40 61.61 1dkl h SER 215 CO -0.08 0.81 -0.08 -0.03 -0.53 0.00 0.00 176.83 176.92 1dkl h MET 216 N 0.92 0.23 -0.54 2.24 1.85 -0.82 -2.98 114.93 115.83 1dkl h MET 216 Ca 0.22 -0.11 -0.01 0.00 -0.61 0.00 0.00 59.70 59.18 1dkl h MET 216 Cb 0.19 -0.00 -0.03 0.00 0.43 0.00 0.00 31.60 32.19 1dkl h MET 216 CO -0.02 0.62 0.29 -0.07 -0.40 0.00 0.00 176.91 177.33 1dkl h LEU 217 N -0.16 0.68 -1.36 3.39 4.07 -0.50 -1.92 115.31 119.50 1dkl h LEU 217 Ca 0.02 -0.10 -0.07 0.00 0.08 0.00 0.00 57.88 57.81 1dkl h LEU 217 Cb 0.57 -0.17 -0.01 0.00 1.08 0.00 0.00 40.66 42.13 1dkl h LEU 217 CO 0.02 0.58 -0.32 0.71 -1.08 0.00 0.00 178.44 178.36 1dkl h THR 218 N 0.72 1.23 -0.36 0.22 1.35 -1.31 -2.45 112.91 112.31 1dkl h THR 218 Ca 0.19 -1.09 -0.14 0.00 -0.55 0.00 0.00 66.41 64.82 1dkl h THR 218 Cb 0.06 1.58 -0.01 0.00 -1.73 0.00 0.00 68.15 68.06 1dkl h THR 218 CO -0.03 0.31 -0.31 -0.08 -0.25 0.00 0.00 175.52 175.16 1dkl h GLU 219 N 0.00 0.84 -0.60 4.72 4.81 -1.29 -3.00 114.58 120.07 1dkl h GLU 219 Ca -0.00 -0.43 0.07 0.00 -0.13 0.00 0.00 59.36 58.87 1dkl h GLU 219 Cb 0.56 0.01 -0.06 0.00 0.63 0.00 0.00 28.75 29.89 1dkl h GLU 219 CO 0.04 1.07 0.29 0.82 -0.73 0.00 0.00 179.01 180.50 1dkl h ILE 220 N 0.64 0.89 -0.23 2.32 2.04 -0.91 -0.67 117.51 121.60 1dkl h ILE 220 Ca 0.06 -0.18 0.04 0.00 1.00 0.00 0.00 64.86 65.78 1dkl h ILE 220 Cb 0.89 0.32 -0.04 0.00 -0.74 0.00 0.00 36.82 37.25 1dkl h ILE 220 CO 0.08 0.10 -0.02 -0.26 0.00 0.00 0.00 178.15 178.05 1dkl h PHE 221 N 0.53 -0.05 -0.70 1.37 0.04 -1.42 -0.72 116.94 115.98 1dkl h PHE 221 Ca 0.28 0.02 0.02 0.00 2.80 0.00 0.00 57.97 61.08 1dkl h PHE 221 Cb 0.24 0.06 -0.04 0.00 2.20 0.00 0.00 35.95 38.41 1dkl h PHE 221 CO -0.11 -0.06 0.47 1.25 -0.60 0.00 0.00 178.31 179.26 1dkl h LEU 222 N 0.05 0.79 -0.76 1.54 6.46 -1.25 -1.60 115.31 120.54 1dkl h LEU 222 Ca 0.11 -0.02 -0.11 0.00 -0.12 0.00 0.00 57.88 57.74 1dkl h LEU 222 Cb 0.15 -0.19 -0.01 0.00 -0.73 0.00 0.00 40.66 39.87 1dkl h LEU 222 CO -0.20 0.56 -0.27 -0.07 -0.62 0.00 0.00 178.44 177.84 1dkl h LEU 223 N 0.92 0.65 -0.40 2.25 4.07 -0.43 -0.14 115.31 122.24 1dkl h LEU 223 Ca 0.27 -0.24 -0.02 0.00 0.08 0.00 0.00 57.88 57.96 1dkl h LEU 223 Cb -0.06 -0.18 -0.02 0.00 1.08 0.00 0.00 40.66 41.49 1dkl h LEU 223 CO -0.06 0.90 0.17 1.56 -1.08 0.00 0.00 178.44 179.92 1dkl h GLN 224 N 0.55 0.60 -0.00 1.13 4.20 -0.25 0.10 115.11 121.45 1dkl h GLN 224 Ca 0.07 -0.10 -0.00 0.00 0.06 0.00 0.00 58.65 58.68 1dkl h GLN 224 Cb 0.75 -0.10 -0.00 0.00 0.30 0.00 0.00 27.48 28.43 1dkl h GLN 224 CO 0.06 0.56 0.00 0.37 -0.67 0.00 0.00 178.83 179.15 1dkl h GLN 225 N 0.51 0.00 -0.15 1.46 5.75 -1.12 -1.64 115.11 119.92 1dkl h GLN 225 Ca 0.14 -0.00 -0.04 0.00 -0.15 0.00 0.00 58.65 58.59 1dkl h GLN 225 Cb 0.17 -0.00 -0.01 0.00 1.07 0.00 0.00 27.48 28.71 1dkl h GLN 225 CO -0.01 0.04 -0.10 0.00 -2.65 0.00 0.00 178.83 176.11 1dkl h ALA 226 N 0.96 1.57 0.00 3.38 0.00 -0.84 -1.59 119.26 122.74 1dkl h ALA 226 Ca 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.73 1dkl h ALA 226 Cb 0.04 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.75 1dkl h ALA 226 CO -0.00 0.31 0.00 1.96 0.00 0.00 0.00 179.25 181.52 1dkl h GLN 227 N 0.22 0.00 0.00 0.00 1.08 -0.39 -3.40 115.11 112.62 1dkl h GLN 227 Ca 0.05 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.25 1dkl h GLN 227 Cb 0.31 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.74 1dkl h GLN 227 CO 0.02 0.00 0.00 0.41 -0.95 0.00 0.00 178.83 178.31 1dkl n GLY 228 N 0.23 0.77 3.76 3.46 0.00 -0.60 -5.04 105.19 107.77 1dkl n GLY 228 Ca 0.01 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.64 1dkl n GLY 228 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1dkl s MET 229 N -0.57 3.57 0.43 1.61 -1.94 -0.67 -4.95 119.30 116.79 1dkl s MET 229 Ca 0.00 2.27 -0.23 0.00 -1.71 0.00 0.00 55.69 56.01 1dkl s MET 229 Cb 0.00 -2.53 -0.08 0.00 2.01 0.00 0.00 34.83 34.23 1dkl s MET 229 CO 0.00 -0.86 1.13 -1.25 -0.01 0.00 0.00 175.02 174.03 1dkl s PRO 230 N -2.57 3.91 -0.70 2.03 0.04 -1.26 -4.28 135.00 132.17 1dkl s PRO 230 Ca 0.64 1.70 -0.10 0.00 0.04 0.00 0.00 61.00 63.27 1dkl s PRO 230 Cb -0.41 -2.47 0.01 0.00 0.04 0.00 0.00 34.50 31.68 1dkl s PRO 230 CO 0.51 -0.40 0.59 0.39 0.04 0.00 0.00 177.00 178.13 1dkl n GLU 231 N -0.31 -1.58 -2.07 4.56 1.02 -1.26 -4.88 120.64 116.12 1dkl n GLU 231 Ca 0.06 0.88 -0.37 0.00 -0.02 0.00 0.00 57.16 57.71 1dkl n GLU 231 Cb 0.48 -2.07 0.01 0.00 -0.02 0.00 0.00 31.44 29.85 1dkl n GLU 231 CO 0.00 0.00 0.00 -2.14 1.18 0.00 0.00 177.13 176.17 1dkl s PRO 232 N -4.22 3.44 -1.25 3.49 0.02 -1.26 -2.50 135.00 132.72 1dkl s PRO 232 Ca 0.10 1.93 0.00 0.00 0.02 0.00 0.00 61.00 63.05 1dkl s PRO 232 Cb -0.01 -2.28 0.00 0.00 0.02 0.00 0.00 34.50 32.23 1dkl s PRO 232 CO 0.86 -0.86 0.00 0.41 -0.33 0.00 0.00 177.00 177.08 1dkl n GLY 233 N 0.54 -0.02 3.32 0.52 0.00 -1.26 -2.36 105.19 105.93 1dkl n GLY 233 Ca 0.09 -0.30 -0.24 0.00 0.00 0.00 0.00 46.02 45.58 1dkl n GLY 233 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 1dkl n TRP 234 N -3.85 -2.27 -1.09 1.61 8.01 -1.04 -1.74 117.44 117.08 1dkl n TRP 234 Ca -0.17 0.71 -0.03 0.00 -1.31 0.00 0.00 57.50 56.70 1dkl n TRP 234 Cb 0.61 -4.46 -0.01 0.00 -2.01 0.00 0.00 31.31 25.43 1dkl n TRP 234 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 1dkl n GLY 235 N -1.66 0.43 0.12 6.99 0.00 -1.00 -4.87 105.19 105.20 1dkl n GLY 235 Ca -0.05 -0.07 0.13 0.00 0.00 0.00 0.00 46.02 46.03 1dkl n GLY 235 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1dkl n ARG 236 N -0.70 0.46 -3.63 1.61 3.00 -0.71 -4.66 116.66 112.04 1dkl n ARG 236 Ca -0.03 -0.23 -0.40 0.00 -0.01 0.00 0.00 57.85 57.18 1dkl n ARG 236 Cb 0.37 -1.50 -0.10 0.00 0.00 0.00 0.00 32.46 31.24 1dkl n ARG 236 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.63 178.05 1dkl s ILE 237 N -2.70 4.14 -0.06 0.55 1.01 -1.26 -4.89 121.20 117.98 1dkl s ILE 237 Ca 0.20 -1.41 0.08 0.00 0.00 0.00 0.00 60.65 59.51 1dkl s ILE 237 Cb 0.19 -3.53 -0.11 0.00 0.01 0.00 0.00 42.46 39.01 1dkl s ILE 237 CO 0.57 -0.49 0.08 0.35 0.00 0.00 0.00 174.94 175.45 1dkl n THR 238 N 4.89 0.42 -4.47 2.92 -2.24 -1.26 -4.91 114.28 109.62 1dkl n THR 238 Ca -0.10 -0.32 -0.23 0.00 -2.27 0.00 0.00 64.05 61.14 1dkl n THR 238 Cb 0.43 -0.48 -0.11 0.00 -2.10 0.00 0.00 70.33 68.07 1dkl n THR 238 CO 0.00 0.00 0.00 1.51 -0.57 0.00 0.00 175.07 176.01 1dkl s ASP 239 N -3.76 2.85 0.43 3.42 3.84 -1.26 -5.05 116.67 117.14 1dkl s ASP 239 Ca -0.04 -1.28 0.09 0.00 -0.00 0.00 0.00 52.55 51.33 1dkl s ASP 239 Cb 0.03 -0.18 0.94 0.00 -1.38 0.00 0.00 42.92 42.33 1dkl s ASP 239 CO 0.35 -0.44 2.06 0.28 -0.00 0.00 0.00 175.17 177.43 1dkl h SER 240 N 2.14 0.34 -0.35 2.11 0.02 -2.00 -2.43 113.55 113.37 1dkl h SER 240 Ca -0.41 -0.02 -0.04 0.00 -0.84 0.00 0.00 61.79 60.49 1dkl h SER 240 Cb 1.24 -0.08 -0.02 0.00 0.14 0.00 0.00 62.40 63.67 1dkl h SER 240 CO 0.70 0.27 0.11 -0.74 -1.14 0.00 0.00 176.83 176.04 1dkl h HIS 241 N 0.39 0.63 -0.08 3.45 6.17 -1.99 -1.49 115.15 122.22 1dkl h HIS 241 Ca 0.10 -0.04 -0.15 0.00 0.71 0.00 0.00 60.37 60.99 1dkl h HIS 241 Cb 0.01 -0.19 0.01 0.00 2.52 0.00 0.00 27.41 29.76 1dkl h HIS 241 CO 0.00 0.54 -0.55 1.96 0.71 0.00 0.00 177.93 180.59 1dkl h GLN 242 N 0.61 0.52 -0.63 5.26 4.20 -1.87 -1.86 115.11 121.35 1dkl h GLN 242 Ca 0.14 -0.45 0.09 0.00 0.06 0.00 0.00 58.65 58.49 1dkl h GLN 242 Cb 0.22 0.10 -0.07 0.00 0.30 0.00 0.00 27.48 28.03 1dkl h GLN 242 CO -0.00 1.08 0.28 -1.49 -0.67 0.00 0.00 178.83 178.02 1dkl h TRP 243 N 0.10 0.49 -0.43 2.96 4.06 -1.22 -0.13 115.95 121.77 1dkl h TRP 243 Ca -0.05 0.03 -0.12 0.00 2.06 0.00 0.00 58.89 60.82 1dkl h TRP 243 Cb 1.21 -0.13 -0.01 0.00 -1.00 0.00 0.00 29.16 29.23 1dkl h TRP 243 CO 0.12 0.17 -0.18 -0.91 -3.56 0.00 0.00 178.44 174.07 1dkl h ASN 244 N 0.49 0.91 -0.66 -3.49 -0.26 -1.24 -1.96 115.58 109.37 1dkl h ASN 244 Ca 0.31 -0.39 -0.04 0.00 -0.56 0.00 0.00 56.30 55.62 1dkl h ASN 244 Cb 0.34 -0.25 -0.03 0.00 -1.06 0.00 0.00 38.32 37.32 1dkl h ASN 244 CO -0.27 1.10 0.26 0.74 -1.06 0.00 0.00 177.43 178.20 1dkl h THR 245 N 0.72 1.24 0.25 2.81 2.02 -0.89 -1.64 112.91 117.41 1dkl h THR 245 Ca 0.10 -0.76 -0.01 0.00 0.77 0.00 0.00 66.41 66.51 1dkl h THR 245 Cb 0.75 0.51 0.00 0.00 -1.74 0.00 0.00 68.15 67.67 1dkl h THR 245 CO 0.06 0.30 -0.12 -0.07 0.37 0.00 0.00 175.52 176.06 1dkl h LEU 246 N 0.93 -0.28 -0.79 2.58 3.38 -0.96 -2.90 115.31 117.27 1dkl h LEU 246 Ca 0.22 -0.18 0.00 0.00 0.09 0.00 0.00 57.88 58.01 1dkl h LEU 246 Cb 0.22 0.07 0.00 0.00 0.09 0.00 0.00 40.66 41.04 1dkl h LEU 246 CO -0.02 0.04 0.00 0.18 0.09 0.00 0.00 178.44 178.73 1dkl n LEU 247 N -5.11 0.48 0.26 1.67 7.99 -0.75 -1.98 117.00 119.57 1dkl n LEU 247 Ca -0.09 0.66 0.11 0.00 -0.01 0.00 0.00 56.01 56.68 1dkl n LEU 247 Cb 0.24 -0.65 0.73 0.00 -0.11 0.00 0.00 43.42 43.63 1dkl n LEU 247 CO 0.32 -0.65 1.01 0.77 -1.51 0.00 0.00 177.39 177.33 1dkl h SER 248 N 0.00 0.00 0.14 -1.43 4.64 -1.07 -0.86 113.55 114.97 1dkl h SER 248 Ca 0.00 0.00 -0.23 0.00 -0.47 0.00 0.00 61.79 61.09 1dkl h SER 248 Cb 0.19 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 62.29 1dkl h SER 248 CO 0.00 0.09 -0.92 -0.07 -0.87 0.00 0.00 176.83 175.06 1dkl h LEU 249 N 0.00 0.72 -0.10 5.97 3.38 -1.54 -0.95 115.31 122.79 1dkl h LEU 249 Ca -0.00 -0.54 -0.01 0.00 0.09 0.00 0.00 57.88 57.42 1dkl h LEU 249 Cb 0.22 -0.22 -0.00 0.00 0.09 0.00 0.00 40.66 40.75 1dkl h LEU 249 CO 0.01 1.33 0.02 -0.74 0.09 0.00 0.00 178.44 179.16 1dkl h HIS 250 N 0.34 0.17 -0.11 1.13 2.76 -1.51 -2.73 115.15 115.20 1dkl h HIS 250 Ca -0.08 -0.02 -0.04 0.00 -2.20 0.00 0.00 60.37 58.02 1dkl h HIS 250 Cb 1.55 -0.05 -0.01 0.00 1.55 0.00 0.00 27.41 30.45 1dkl h HIS 250 CO 0.08 0.35 -0.12 -0.91 -1.30 0.00 0.00 177.93 176.02 1dkl h ASN 251 N -0.06 0.15 -0.49 3.26 2.35 -1.19 -2.53 115.58 117.07 1dkl h ASN 251 Ca 0.03 -0.03 -0.12 0.00 -0.55 0.00 0.00 56.30 55.63 1dkl h ASN 251 Cb 0.27 -0.04 -0.02 0.00 0.05 0.00 0.00 38.32 38.59 1dkl h ASN 251 CO 0.00 0.29 -0.16 0.00 -1.65 0.00 0.00 177.43 175.91 1dkl h ALA 252 N 1.73 0.75 -0.46 -0.83 0.00 -1.01 0.14 119.26 119.58 1dkl h ALA 252 Ca 0.03 -0.37 -0.10 0.00 0.00 0.00 0.00 54.91 54.47 1dkl h ALA 252 Cb 0.32 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 1dkl h ALA 252 CO 0.02 0.67 -0.11 0.37 0.00 0.00 0.00 179.25 180.20 1dkl h GLN 253 N 0.87 0.89 -0.49 0.00 4.15 -1.17 -2.12 115.11 117.24 1dkl h GLN 253 Ca 0.12 -0.34 -0.04 0.00 0.77 0.00 0.00 58.65 59.17 1dkl h GLN 253 Cb 0.73 -0.05 -0.02 0.00 0.21 0.00 0.00 27.48 28.34 1dkl h GLN 253 CO 0.06 0.98 0.14 0.74 -1.93 0.00 0.00 178.83 178.82 1dkl h PHE 254 N 0.73 0.73 -0.54 3.99 -1.00 -1.24 0.79 116.94 120.41 1dkl h PHE 254 Ca 0.12 -0.05 0.06 0.00 2.81 0.00 0.00 57.97 60.90 1dkl h PHE 254 Cb 0.65 -0.22 -0.05 0.00 3.61 0.00 0.00 35.95 39.94 1dkl h PHE 254 CO 0.05 0.61 0.25 -0.92 -1.61 0.00 0.00 178.31 176.69 1dkl h TYR 255 N 0.71 0.46 0.04 -0.55 3.20 -0.55 0.68 116.97 120.96 1dkl h TYR 255 Ca 0.16 0.02 -0.08 0.00 3.14 0.00 0.00 58.73 61.98 1dkl h TYR 255 Cb 0.23 -0.13 0.01 0.00 1.54 0.00 0.00 36.73 38.38 1dkl h TYR 255 CO 0.01 0.20 -0.32 -0.07 -1.64 0.00 0.00 178.16 176.34 1dkl h LEU 256 N 0.48 0.22 0.00 2.82 3.38 -0.72 -3.18 115.31 118.31 1dkl h LEU 256 Ca 0.25 -0.91 -0.22 0.00 0.09 0.00 0.00 57.88 57.09 1dkl h LEU 256 Cb 0.19 -0.07 -0.04 0.00 0.09 0.00 0.00 40.66 40.84 1dkl h LEU 256 CO -0.19 1.10 -1.34 -0.07 0.09 0.00 0.00 178.44 178.03 1dkl h LEU 257 N -0.64 0.00 0.00 1.67 3.38 -0.87 -3.37 115.31 115.48 1dkl h LEU 257 Ca -0.05 0.00 -0.12 0.00 0.09 0.00 0.00 57.88 57.80 1dkl h LEU 257 Cb 1.19 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.92 1dkl h LEU 257 CO 0.06 0.84 -1.55 0.00 0.09 0.00 0.00 178.44 177.88 1dkl n GLN 258 N -3.10 2.08 0.04 1.13 1.13 0.09 -4.73 117.38 114.03 1dkl n GLN 258 Ca -0.09 -0.02 0.05 0.00 -1.94 0.00 0.00 57.00 54.99 1dkl n GLN 258 Cb 0.94 -1.22 -0.08 0.00 0.11 0.00 0.00 30.24 29.99 1dkl n GLN 258 CO 0.00 0.00 0.00 0.54 -1.44 0.00 0.00 177.06 176.16 1dkl n ARG 259 N -2.21 0.63 -1.68 -1.09 1.74 -0.38 -3.48 116.66 110.20 1dkl n ARG 259 Ca -0.11 0.10 -0.50 0.00 -0.77 0.00 0.00 57.85 56.56 1dkl n ARG 259 Cb 0.66 -1.74 -0.05 0.00 -1.02 0.00 0.00 32.46 30.31 1dkl n ARG 259 CO 0.00 0.00 0.00 2.41 -1.52 0.00 0.00 177.63 178.52 1dkl n THR 260 N -2.70 0.37 -0.27 0.55 -1.04 -1.20 -4.31 114.28 105.68 1dkl n THR 260 Ca -0.07 -0.07 0.08 0.00 -2.04 0.00 0.00 64.05 61.95 1dkl n THR 260 Cb 0.72 -1.58 0.22 0.00 -1.82 0.00 0.00 70.33 67.87 1dkl n THR 260 CO 0.00 0.00 0.00 -0.65 -0.64 0.00 0.00 175.07 173.78 1dkl h PRO 261 N 7.79 0.31 0.00 -2.82 0.11 -1.91 0.87 132.00 136.34 1dkl h PRO 261 Ca -0.47 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.62 1dkl h PRO 261 Cb 1.28 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 32.33 1dkl h PRO 261 CO 0.93 0.20 0.00 -0.85 -0.21 0.00 0.00 178.00 178.07 1dkl n GLU 262 N -5.12 0.09 -0.10 1.05 0.00 -1.26 -1.73 120.64 113.57 1dkl n GLU 262 Ca 0.17 0.47 -0.20 0.00 0.00 0.00 0.00 57.16 57.59 1dkl n GLU 262 Cb 0.52 -1.74 -0.07 0.00 0.00 0.00 0.00 31.44 30.15 1dkl n GLU 262 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.13 177.41 1dkl n VAL 263 N -1.92 1.29 -0.25 3.84 0.31 -0.13 -4.67 118.33 116.81 1dkl n VAL 263 Ca 0.01 -0.20 0.01 0.00 -0.01 0.00 0.00 64.34 64.15 1dkl n VAL 263 Cb 0.10 -1.90 0.14 0.00 -0.91 0.00 0.00 33.84 31.27 1dkl n VAL 263 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1dkl h ALA 264 N -0.81 0.98 -0.65 3.52 0.00 -0.84 -2.27 119.26 119.19 1dkl h ALA 264 Ca -0.44 0.05 0.06 0.00 0.00 0.00 0.00 54.91 54.58 1dkl h ALA 264 Cb 1.34 -0.05 -0.05 0.00 0.00 0.00 0.00 17.79 19.02 1dkl h ALA 264 CO -0.27 -0.04 0.36 0.00 0.00 0.00 0.00 179.25 179.31 1dkl h ARG 265 N 0.61 0.66 0.03 0.00 3.08 -1.58 -0.59 114.38 116.60 1dkl h ARG 265 Ca 0.35 -0.04 -0.00 0.00 0.07 0.00 0.00 59.98 60.36 1dkl h ARG 265 Cb 0.36 -0.15 0.00 0.00 0.08 0.00 0.00 29.97 30.26 1dkl h ARG 265 CO -0.26 0.43 -0.01 0.77 -1.07 0.00 0.00 179.97 179.83 1dkl h SER 266 N 0.68 -0.03 -0.07 7.04 0.02 -1.74 -2.76 113.55 116.68 1dkl h SER 266 Ca 0.29 -0.54 0.02 0.00 -0.84 0.00 0.00 61.79 60.72 1dkl h SER 266 Cb 0.17 0.01 -0.00 0.00 0.14 0.00 0.00 62.40 62.72 1dkl h SER 266 CO -0.18 0.54 0.06 -0.09 -1.14 0.00 0.00 176.83 176.02 1dkl h ARG 267 N -0.62 0.00 -0.01 3.45 2.43 -1.26 -2.61 114.38 115.76 1dkl h ARG 267 Ca -0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 1dkl h ARG 267 Cb 0.57 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.12 1dkl h ARG 267 CO 0.01 0.00 -0.48 0.00 -1.51 0.00 0.00 179.97 177.99 1dkl n ALA 268 N -2.44 3.56 -0.10 2.80 0.00 -0.24 -4.42 120.51 119.67 1dkl n ALA 268 Ca -0.01 -0.63 -0.06 0.00 0.00 0.00 0.00 53.44 52.74 1dkl n ALA 268 Cb 0.17 -0.76 0.01 0.00 0.00 0.00 0.00 19.45 18.87 1dkl n ALA 268 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.50 178.65 1dkl h THR 269 N 2.24 0.48 -0.99 0.00 2.02 -1.15 -0.33 112.91 115.18 1dkl h THR 269 Ca 0.00 0.00 0.08 0.00 0.77 0.00 0.00 66.41 67.26 1dkl h THR 269 Cb 0.72 0.48 -0.07 0.00 -1.74 0.00 0.00 68.15 67.54 1dkl h THR 269 CO 0.00 0.00 0.64 -0.65 0.37 0.00 0.00 175.52 175.88 1dkl h PRO 270 N -0.10 1.08 -0.27 6.66 0.11 -1.82 -0.85 132.00 136.82 1dkl h PRO 270 Ca 0.18 -0.07 -0.16 0.00 0.11 0.00 0.00 66.00 66.07 1dkl h PRO 270 Cb 0.38 -0.24 -0.01 0.00 0.11 0.00 0.00 31.00 31.24 1dkl h PRO 270 CO -0.44 0.72 -0.47 -0.07 -0.21 0.00 0.00 178.00 177.53 1dkl h LEU 271 N 1.12 0.78 -0.81 2.35 3.38 -1.52 -2.35 115.31 118.26 1dkl h LEU 271 Ca 0.44 -0.38 0.00 0.00 0.09 0.00 0.00 57.88 58.03 1dkl h LEU 271 Cb 0.24 -0.22 -0.04 0.00 0.09 0.00 0.00 40.66 40.73 1dkl h LEU 271 CO -0.19 1.12 0.52 -0.07 0.09 0.00 0.00 178.44 179.92 1dkl h LEU 272 N 0.57 0.95 -0.39 1.67 3.38 -0.31 0.51 115.31 121.69 1dkl h LEU 272 Ca 0.03 -0.04 -0.03 0.00 0.09 0.00 0.00 57.88 57.93 1dkl h LEU 272 Cb 1.03 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 41.53 1dkl h LEU 272 CO 0.10 0.71 0.13 0.44 0.09 0.00 0.00 178.44 179.91 1dkl h ASP 273 N 1.10 0.55 -0.38 -0.43 3.32 -1.04 -1.25 116.42 118.30 1dkl h ASP 273 Ca 0.29 -0.19 -0.02 0.00 0.02 0.00 0.00 57.03 57.13 1dkl h ASP 273 Cb -0.09 -0.14 -0.02 0.00 0.22 0.00 0.00 39.33 39.30 1dkl h ASP 273 CO -0.06 0.60 0.15 0.25 -1.72 0.00 0.00 179.24 178.46 1dkl h LEU 274 N 0.48 0.52 -0.50 1.55 5.85 -0.97 -1.59 115.31 120.65 1dkl h LEU 274 Ca 0.13 -0.16 0.01 0.00 0.84 0.00 0.00 57.88 58.70 1dkl h LEU 274 Cb 0.23 -0.13 -0.03 0.00 0.37 0.00 0.00 40.66 41.10 1dkl h LEU 274 CO -0.01 0.54 0.31 0.40 -0.34 0.00 0.00 178.44 179.34 1dkl h ILE 275 N 0.46 1.08 -0.59 4.05 2.04 -0.77 0.05 117.51 123.85 1dkl h ILE 275 Ca 0.13 -0.21 -0.02 0.00 1.00 0.00 0.00 64.86 65.75 1dkl h ILE 275 Cb 0.18 0.40 -0.03 0.00 -0.74 0.00 0.00 36.82 36.64 1dkl h ILE 275 CO -0.01 0.11 0.30 0.50 0.00 0.00 0.00 178.15 179.05 1dkl h LYS 276 N 0.63 0.83 -0.39 2.37 3.64 -1.05 -0.63 116.57 121.97 1dkl h LYS 276 Ca 0.19 -0.11 -0.09 0.00 -1.27 0.00 0.00 60.65 59.37 1dkl h LYS 276 Cb -0.02 -0.16 -0.02 0.00 -0.41 0.00 0.00 32.23 31.62 1dkl h LYS 276 CO -0.07 0.66 -0.13 1.15 -2.27 0.00 0.00 179.45 178.79 1dkl h THR 277 N 0.80 1.25 -0.16 1.00 2.02 -0.89 -1.18 112.91 115.76 1dkl h THR 277 Ca 0.20 -1.15 -0.14 0.00 0.77 0.00 0.00 66.41 66.09 1dkl h THR 277 Cb 0.08 1.09 -0.01 0.00 -1.74 0.00 0.00 68.15 67.58 1dkl h THR 277 CO -0.03 0.39 -0.50 0.00 0.37 0.00 0.00 175.52 175.75 1dkl h ALA 278 N 1.23 0.85 0.00 6.16 0.00 -0.63 -3.18 119.26 123.69 1dkl h ALA 278 Ca 0.11 -0.48 0.00 0.00 0.00 0.00 0.00 54.91 54.54 1dkl h ALA 278 Cb 0.58 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.28 1dkl h ALA 278 CO 0.04 0.67 -0.35 -0.07 0.00 0.00 0.00 179.25 179.53 1dkl h LEU 279 N 0.33 0.00 -8.94 0.00 4.07 -0.92 -3.42 115.31 106.44 1dkl h LEU 279 Ca 0.01 -0.10 -0.61 0.00 0.08 0.00 0.00 57.88 57.27 1dkl h LEU 279 Cb 1.00 0.00 -0.11 0.00 1.08 0.00 0.00 40.66 42.63 1dkl h LEU 279 CO 0.09 0.05 0.32 -0.89 -1.08 0.00 0.00 178.44 176.92 1dkl s THR 280 N -3.16 4.86 0.08 0.22 2.01 -0.46 -4.96 115.64 114.23 1dkl s THR 280 Ca 0.08 1.16 -0.33 0.00 0.31 0.00 0.00 61.69 62.91 1dkl s THR 280 Cb 0.12 -4.08 -0.12 0.00 0.01 0.00 0.00 72.50 68.43 1dkl s THR 280 CO 0.67 -0.16 1.79 -0.81 -0.69 0.00 0.00 174.62 175.43 1dkl n PRO 281 N 6.03 2.50 -3.60 4.92 -0.04 -1.26 -4.76 135.00 138.79 1dkl n PRO 281 Ca 0.02 0.91 -0.09 0.00 -0.04 0.00 0.00 63.50 64.30 1dkl n PRO 281 Cb 0.48 -2.77 -0.05 0.00 -0.04 0.00 0.00 33.50 31.12 1dkl n PRO 281 CO 0.00 0.00 0.00 -1.58 -0.04 0.00 0.00 175.50 173.88 1dkl s HIS 282 N 2.67 -0.33 0.17 0.54 2.46 -1.26 -5.11 115.29 114.43 1dkl s HIS 282 Ca 0.84 0.62 -0.34 0.00 0.47 0.00 0.00 55.06 56.66 1dkl s HIS 282 Cb -0.58 0.44 -0.14 0.00 -0.13 0.00 0.00 32.58 32.18 1dkl s HIS 282 CO 0.41 -0.28 1.52 -0.35 -2.47 0.00 0.00 174.74 173.57 1dkl n PRO 283 N 0.96 2.01 -1.63 2.88 -0.04 -1.26 -4.23 135.00 133.69 1dkl n PRO 283 Ca -0.09 0.72 -0.46 0.00 -0.04 0.00 0.00 63.50 63.63 1dkl n PRO 283 Cb 0.58 -2.46 -0.03 0.00 -0.04 0.00 0.00 33.50 31.55 1dkl n PRO 283 CO 0.00 0.00 0.00 -0.35 -0.04 0.00 0.00 175.50 175.11 1dkl n PRO 284 N 3.08 1.68 -3.79 0.54 -0.04 -1.26 -4.69 135.00 130.51 1dkl n PRO 284 Ca 0.16 0.60 -0.12 0.00 -0.04 0.00 0.00 63.50 64.10 1dkl n PRO 284 Cb 0.28 -2.15 -0.08 0.00 -0.04 0.00 0.00 33.50 31.51 1dkl n PRO 284 CO 0.00 0.00 0.00 -0.65 -0.04 0.00 0.00 175.50 174.81 1dkl s GLN 285 N -0.78 0.70 0.11 0.54 -0.21 -0.47 -4.95 119.66 114.61 1dkl s GLN 285 Ca 0.66 -0.43 -0.31 0.00 0.02 0.00 0.00 55.36 55.30 1dkl s GLN 285 Cb -0.70 0.30 -0.09 0.00 1.00 0.00 0.00 33.01 33.52 1dkl s GLN 285 CO 0.54 -0.21 1.60 0.15 -2.12 0.00 0.00 175.29 175.26 1dkl s LYS 286 N -2.05 4.21 0.00 2.91 -0.14 -1.26 -2.03 119.74 121.38 1dkl s LYS 286 Ca -0.09 2.34 0.00 0.00 -1.36 0.00 0.00 55.97 56.86 1dkl s LYS 286 Cb -0.03 -3.38 0.00 0.00 -1.68 0.00 0.00 37.83 32.74 1dkl s LYS 286 CO -0.01 -0.67 0.00 1.04 -0.76 0.00 0.00 175.35 174.96 1dkl n GLN 287 N 4.79 3.16 -1.53 1.68 1.13 0.18 -4.95 117.38 121.84 1dkl n GLN 287 Ca 0.15 0.00 -0.41 0.00 -1.94 0.00 0.00 57.00 54.80 1dkl n GLN 287 Cb 0.40 0.00 0.02 0.00 0.11 0.00 0.00 30.24 30.76 1dkl n GLN 287 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1dkl n ALA 288 N -3.00 -0.70 -1.27 -1.58 0.00 -1.26 -0.69 120.51 112.00 1dkl n ALA 288 Ca 0.00 0.15 -0.09 0.00 0.00 0.00 0.00 53.44 53.49 1dkl n ALA 288 Cb 0.00 -1.92 -0.04 0.00 0.00 0.00 0.00 19.45 17.49 1dkl n ALA 288 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1dkl n TYR 289 N -0.93 0.00 -1.23 0.00 4.02 -1.26 -2.10 117.16 115.67 1dkl n TYR 289 Ca 0.11 0.00 -0.08 0.00 -0.01 0.00 0.00 57.90 57.92 1dkl n TYR 289 Cb 0.41 -2.44 -0.03 0.00 -0.02 0.00 0.00 39.34 37.25 1dkl n TYR 289 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1dkl n GLY 290 N -0.14 0.89 3.81 2.72 0.00 0.13 -4.96 105.19 107.65 1dkl n GLY 290 Ca -0.09 -0.19 -0.35 0.00 0.00 0.00 0.00 46.02 45.40 1dkl n GLY 290 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1dkl s VAL 291 N -1.98 4.37 -0.26 1.61 1.01 -0.89 -4.66 120.40 119.60 1dkl s VAL 291 Ca 0.00 1.54 -0.13 0.00 0.00 0.00 0.00 61.98 63.39 1dkl s VAL 291 Cb 0.00 -3.76 -0.04 0.00 0.00 0.00 0.00 36.38 32.57 1dkl s VAL 291 CO 0.00 -0.11 0.28 -0.89 0.00 0.00 0.00 175.10 174.38 1dkl s THR 292 N -1.92 5.25 0.05 3.92 2.01 -1.26 0.49 115.64 124.18 1dkl s THR 292 Ca 0.56 0.38 0.07 0.00 0.31 0.00 0.00 61.69 63.01 1dkl s THR 292 Cb -0.13 -3.61 -0.03 0.00 0.01 0.00 0.00 72.50 68.74 1dkl s THR 292 CO 0.18 0.23 -0.21 -0.76 -0.69 0.00 0.00 174.62 173.37 1dkl s LEU 293 N 1.73 2.18 0.77 4.42 1.43 -0.86 -4.17 118.68 124.18 1dkl s LEU 293 Ca 0.11 -0.54 -0.11 0.00 -1.03 0.00 0.00 54.13 52.56 1dkl s LEU 293 Cb -0.15 -0.97 0.05 0.00 0.03 0.00 0.00 46.19 45.15 1dkl s LEU 293 CO 0.09 0.15 1.08 -2.84 0.23 0.00 0.00 176.35 175.06 1dkl s PRO 294 N -1.26 2.32 0.36 1.29 0.02 -1.26 -1.36 135.00 135.10 1dkl s PRO 294 Ca 0.07 0.88 -0.02 0.00 0.02 0.00 0.00 61.00 61.95 1dkl s PRO 294 Cb -0.09 -1.93 0.01 0.00 0.02 0.00 0.00 34.50 32.51 1dkl s PRO 294 CO 0.02 -1.52 0.50 -2.37 -0.33 0.00 0.00 177.00 173.30 1dkl n THR 295 N -3.40 0.00 0.07 0.99 5.66 -1.26 -4.73 114.28 111.61 1dkl n THR 295 Ca 0.08 -1.80 -0.11 0.00 -3.05 0.00 0.00 64.05 59.17 1dkl n THR 295 Cb 0.54 1.11 -0.07 0.00 -1.55 0.00 0.00 70.33 70.37 1dkl n THR 295 CO 0.00 0.00 0.00 0.28 -3.05 0.00 0.00 175.07 172.30 1dkl h SER 296 N 2.01 -0.21 -3.35 1.09 0.02 -1.71 -3.43 113.55 107.97 1dkl h SER 296 Ca -0.28 -0.31 -0.53 0.00 -0.84 0.00 0.00 61.79 59.84 1dkl h SER 296 Cb 1.21 0.06 -0.34 0.00 0.14 0.00 0.00 62.40 63.46 1dkl h SER 296 CO 0.38 0.32 -0.82 -0.69 -1.14 0.00 0.00 176.83 174.88 1dkl s VAL 297 N -3.48 1.17 -0.16 2.27 1.01 -0.56 -1.30 120.40 119.34 1dkl s VAL 297 Ca -0.12 -0.46 0.02 0.00 0.00 0.00 0.00 61.98 61.41 1dkl s VAL 297 Cb 0.01 -1.09 0.02 0.00 0.00 0.00 0.00 36.38 35.31 1dkl s VAL 297 CO 0.46 0.37 -0.20 -0.22 0.00 0.00 0.00 175.10 175.50 1dkl s LEU 298 N 0.93 2.08 -0.13 3.92 0.20 -0.51 -0.51 118.68 124.66 1dkl s LEU 298 Ca -0.09 -0.61 0.03 0.00 0.69 0.00 0.00 54.13 54.14 1dkl s LEU 298 Cb -0.15 -1.43 0.01 0.00 -0.43 0.00 0.00 46.19 44.18 1dkl s LEU 298 CO 0.00 0.03 -0.22 0.12 -0.29 0.00 0.00 176.35 176.00 1dkl s PHE 299 N 1.07 2.62 -0.21 5.38 2.19 0.25 -0.37 117.98 128.92 1dkl s PHE 299 Ca -0.01 -1.26 -0.01 0.00 0.33 0.00 0.00 56.93 55.98 1dkl s PHE 299 Cb -0.14 -1.78 0.01 0.00 -1.31 0.00 0.00 43.02 39.81 1dkl s PHE 299 CO -0.07 -0.56 -0.12 0.42 1.83 0.00 0.00 175.22 176.72 1dkl s ILE 300 N 0.69 2.63 -0.49 3.12 1.01 0.41 -0.44 121.20 128.13 1dkl s ILE 300 Ca -0.10 -0.85 -0.20 0.00 0.00 0.00 0.00 60.65 59.50 1dkl s ILE 300 Cb -0.16 -2.20 0.04 0.00 0.01 0.00 0.00 42.46 40.15 1dkl s ILE 300 CO 0.01 0.41 0.65 0.00 0.00 0.00 0.00 174.94 176.01 1dkl s ALA 301 N 1.35 3.35 0.00 9.38 0.00 0.75 -0.53 121.76 136.07 1dkl s ALA 301 Ca 0.04 -1.53 0.00 0.00 0.00 0.00 0.00 51.96 50.47 1dkl s ALA 301 Cb -0.14 -3.35 0.00 0.00 0.00 0.00 0.00 23.12 19.62 1dkl s ALA 301 CO -0.08 -1.95 0.00 0.41 0.00 0.00 0.00 175.76 174.14 1dkl n GLY 302 N 5.12 5.36 3.52 0.00 0.00 0.15 -1.89 105.19 117.45 1dkl n GLY 302 Ca -0.04 -1.38 -0.25 0.00 0.00 0.00 0.00 46.02 44.35 1dkl n GLY 302 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1dkl s HIS 303 N 2.91 2.05 0.38 1.61 3.76 -1.26 -1.52 115.29 123.21 1dkl s HIS 303 Ca 0.00 -0.94 0.09 0.00 -0.15 0.00 0.00 55.06 54.06 1dkl s HIS 303 Cb 0.00 -1.40 0.75 0.00 1.11 0.00 0.00 32.58 33.04 1dkl s HIS 303 CO 0.00 0.08 1.89 0.38 -0.85 0.00 0.00 174.74 176.24 1dkl h ASP 304 N 1.92 0.22 -0.56 1.40 -0.00 -1.92 -1.78 116.42 115.71 1dkl h ASP 304 Ca -0.41 -0.05 -0.03 0.00 -0.00 0.00 0.00 57.03 56.54 1dkl h ASP 304 Cb 1.25 -0.06 -0.03 0.00 -0.00 0.00 0.00 39.33 40.50 1dkl h ASP 304 CO 0.71 0.41 0.26 0.71 -0.00 0.00 0.00 179.24 181.32 1dkl h THR 305 N 0.22 1.20 -0.49 1.15 1.35 -1.96 -0.28 112.91 114.11 1dkl h THR 305 Ca 0.04 -0.61 -0.03 0.00 -0.55 0.00 0.00 66.41 65.26 1dkl h THR 305 Cb 0.42 0.47 -0.02 0.00 -1.73 0.00 0.00 68.15 67.29 1dkl h THR 305 CO 0.03 0.25 0.17 0.78 -0.25 0.00 0.00 175.52 176.50 1dkl h ASN 306 N 0.84 0.70 -0.31 5.36 -0.26 -1.67 0.20 115.58 120.43 1dkl h ASN 306 Ca 0.20 -0.19 -0.01 0.00 -0.56 0.00 0.00 56.30 55.75 1dkl h ASN 306 Cb 0.13 -0.18 -0.01 0.00 -1.06 0.00 0.00 38.32 37.19 1dkl h ASN 306 CO -0.02 0.70 0.16 -0.07 -1.06 0.00 0.00 177.43 177.13 1dkl h LEU 307 N 0.65 0.40 -0.75 1.61 3.38 -1.15 -1.39 115.31 118.07 1dkl h LEU 307 Ca 0.16 -0.11 -0.09 0.00 0.09 0.00 0.00 57.88 57.93 1dkl h LEU 307 Cb 0.23 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 40.86 1dkl h LEU 307 CO -0.01 0.40 0.01 0.00 0.09 0.00 0.00 178.44 178.94 1dkl h ALA 308 N 1.02 0.95 -0.42 1.53 0.00 -0.85 -1.76 119.26 119.73 1dkl h ALA 308 Ca 0.11 -0.29 -0.01 0.00 0.00 0.00 0.00 54.91 54.72 1dkl h ALA 308 Cb 0.10 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.65 1dkl h ALA 308 CO -0.02 0.64 0.23 -0.91 0.00 0.00 0.00 179.25 179.19 1dkl h ASN 309 N 0.90 0.53 -0.62 0.00 -0.26 -0.33 -1.12 115.58 114.68 1dkl h ASN 309 Ca 0.17 -0.10 -0.07 0.00 -0.56 0.00 0.00 56.30 55.74 1dkl h ASN 309 Cb 0.50 -0.14 -0.03 0.00 -1.06 0.00 0.00 38.32 37.60 1dkl h ASN 309 CO 0.02 0.48 0.12 -0.07 -1.06 0.00 0.00 177.43 176.92 1dkl h LEU 310 N 0.55 0.99 0.14 1.61 3.38 -1.14 -0.73 115.31 120.09 1dkl h LEU 310 Ca 0.15 -0.22 -0.00 0.00 0.09 0.00 0.00 57.88 57.89 1dkl h LEU 310 Cb 0.07 -0.26 -0.00 0.00 0.09 0.00 0.00 40.66 40.55 1dkl h LEU 310 CO -0.02 0.97 -0.08 1.23 0.09 0.00 0.00 178.44 180.63 1dkl h GLY 311 N 1.04 -0.21 1.01 0.83 0.00 -0.92 0.35 103.07 105.17 1dkl h GLY 311 Ca 0.20 0.09 -0.02 0.00 0.00 0.00 0.00 47.33 47.60 1dkl h GLY 311 CO 0.01 -0.09 0.38 -1.33 0.00 0.00 0.00 176.54 175.51 1dkl h GLY 312 N -0.22 1.13 1.47 4.60 0.00 -1.04 -0.22 103.07 108.80 1dkl h GLY 312 Ca -0.01 -0.55 -0.11 0.00 0.00 0.00 0.00 47.33 46.66 1dkl h GLY 312 CO 0.01 0.52 -0.27 0.00 0.00 0.00 0.00 176.54 176.81 1dkl h ALA 313 N 1.19 0.97 -0.19 3.60 0.00 -0.89 -3.17 119.26 120.76 1dkl h ALA 313 Ca 0.26 -0.37 0.00 0.00 0.00 0.00 0.00 54.91 54.80 1dkl h ALA 313 Cb 0.09 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.75 1dkl h ALA 313 CO -0.04 0.60 0.00 1.28 0.00 0.00 0.00 179.25 181.10 1dkl n LEU 314 N -4.10 3.01 -3.38 0.00 4.77 0.09 -4.83 117.00 112.57 1dkl n LEU 314 Ca -0.00 -1.15 -0.17 0.00 -0.03 0.00 0.00 56.01 54.66 1dkl n LEU 314 Cb 0.44 -0.11 0.08 0.00 -2.33 0.00 0.00 43.42 41.49 1dkl n LEU 314 CO 0.43 0.58 0.08 -0.62 -1.33 0.00 0.00 177.39 176.53 1dkl n GLU 315 N 1.27 -5.03 -3.97 3.23 1.02 -0.22 -4.40 120.64 112.54 1dkl n GLU 315 Ca 0.17 0.85 -0.34 0.00 -0.02 0.00 0.00 57.16 57.81 1dkl n GLU 315 Cb 0.57 -5.82 -0.15 0.00 -0.02 0.00 0.00 31.44 26.02 1dkl n GLU 315 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 1dkl s LEU 316 N -6.04 2.67 0.06 -4.62 1.02 -0.44 -2.59 118.68 108.74 1dkl s LEU 316 Ca 0.16 -0.47 0.09 0.00 0.02 0.00 0.00 54.13 53.93 1dkl s LEU 316 Cb -0.02 -1.66 -0.03 0.00 0.02 0.00 0.00 46.19 44.50 1dkl s LEU 316 CO 0.74 -0.02 -0.26 0.20 0.02 0.00 0.00 176.35 177.03 1dkl s ASN 317 N 1.42 3.25 0.13 2.29 0.01 -1.26 -4.46 114.94 116.32 1dkl s ASN 317 Ca 0.06 -0.61 -0.24 0.00 -0.71 0.00 0.00 52.86 51.36 1dkl s ASN 317 Cb -0.14 -0.30 0.08 0.00 0.41 0.00 0.00 41.25 41.30 1dkl s ASN 317 CO -0.06 0.24 0.65 -1.66 -1.51 0.00 0.00 177.10 174.77 1dkl s TRP 318 N -0.86 -0.51 -0.00 2.20 -2.14 -1.26 -4.88 118.94 111.49 1dkl s TRP 318 Ca 0.12 0.31 0.01 0.00 2.66 0.00 0.00 56.10 59.21 1dkl s TRP 318 Cb -0.10 0.56 -0.00 0.00 -3.10 0.00 0.00 33.47 30.82 1dkl s TRP 318 CO 0.03 -0.79 -0.04 0.99 -2.66 0.00 0.00 176.95 174.48 1dkl s THR 319 N -3.62 0.32 -0.35 0.66 2.01 -1.26 -5.00 115.64 108.40 1dkl s THR 319 Ca 0.02 -0.17 -0.05 0.00 0.31 0.00 0.00 61.69 61.80 1dkl s THR 319 Cb -0.01 -0.28 0.06 0.00 0.01 0.00 0.00 72.50 72.28 1dkl s THR 319 CO -0.12 0.09 0.12 -0.76 -0.69 0.00 0.00 174.62 173.26 1dkl s LEU 320 N -0.06 4.50 0.06 4.42 1.43 -1.26 -5.01 118.68 122.77 1dkl s LEU 320 Ca 0.01 -1.36 -0.33 0.00 -1.03 0.00 0.00 54.13 51.42 1dkl s LEU 320 Cb -0.02 -1.85 -0.12 0.00 0.03 0.00 0.00 46.19 44.24 1dkl s LEU 320 CO -0.00 -0.38 1.81 -0.81 0.23 0.00 0.00 176.35 177.20 1dkl n PRO 321 N 4.75 2.48 -0.22 1.29 -0.04 -1.26 -0.80 135.00 141.20 1dkl n PRO 321 Ca -0.11 0.90 0.00 0.00 -0.04 0.00 0.00 63.50 64.26 1dkl n PRO 321 Cb 0.44 -2.76 0.00 0.00 -0.04 0.00 0.00 33.50 31.14 1dkl n PRO 321 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1dkl n GLY 322 N 4.13 1.46 2.72 0.55 0.00 -1.26 -4.89 105.19 107.90 1dkl n GLY 322 Ca 0.19 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.92 1dkl n GLY 322 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1dkl s GLN 323 N -0.39 0.76 0.51 1.61 2.00 0.02 -0.87 119.66 123.30 1dkl s GLN 323 Ca 0.00 -1.17 0.18 0.00 -2.00 0.00 0.00 55.36 52.37 1dkl s GLN 323 Cb 0.00 -2.00 1.26 0.00 0.80 0.00 0.00 33.01 33.07 1dkl s GLN 323 CO 0.00 -1.01 2.08 -1.00 -0.50 0.00 0.00 175.29 174.86 1dkl h PRO 324 N 7.93 0.07 -5.78 1.67 0.13 -1.91 -3.38 132.00 130.73 1dkl h PRO 324 Ca -0.12 -0.00 -0.59 0.00 -0.87 0.00 0.00 66.00 64.42 1dkl h PRO 324 Cb 1.00 -0.02 -0.09 0.00 0.13 0.00 0.00 31.00 32.03 1dkl h PRO 324 CO 0.47 0.05 0.36 0.34 -0.23 0.00 0.00 178.00 178.99 1dkl s ASP 325 N -6.70 6.82 0.54 1.44 -1.08 -1.26 -4.75 116.67 111.68 1dkl s ASP 325 Ca -0.05 1.01 0.30 0.00 -0.52 0.00 0.00 52.55 53.29 1dkl s ASP 325 Cb 0.18 -2.42 1.50 0.00 -1.46 0.00 0.00 42.92 40.73 1dkl s ASP 325 CO 0.70 -0.43 2.07 0.78 0.52 0.00 0.00 175.17 178.81 1dkl h ASN 326 N 7.57 0.00 -2.14 -0.34 2.35 -1.93 -3.20 115.58 117.90 1dkl h ASN 326 Ca -0.26 0.00 -0.56 0.00 -0.55 0.00 0.00 56.30 54.93 1dkl h ASN 326 Cb 1.11 0.00 -0.41 0.00 0.05 0.00 0.00 38.32 39.08 1dkl h ASN 326 CO 0.84 0.10 -0.86 0.35 -1.65 0.00 0.00 177.43 176.20 1dkl n THR 327 N -3.45 1.36 -1.50 2.81 -2.24 -1.26 -4.95 114.28 105.05 1dkl n THR 327 Ca -0.01 -4.94 -0.34 0.00 -2.27 0.00 0.00 64.05 56.49 1dkl n THR 327 Cb 0.25 -1.39 0.08 0.00 -2.10 0.00 0.00 70.33 67.17 1dkl n THR 327 CO 0.00 0.00 0.00 -2.16 -0.57 0.00 0.00 175.07 172.34 1dkl s PRO 328 N -2.53 2.31 0.25 -0.78 0.04 -1.21 -4.75 135.00 128.33 1dkl s PRO 328 Ca 0.42 1.61 -0.31 0.00 0.04 0.00 0.00 61.00 62.76 1dkl s PRO 328 Cb 0.24 -1.87 -0.12 0.00 0.04 0.00 0.00 34.50 32.80 1dkl s PRO 328 CO -0.09 -1.67 1.65 -0.35 0.04 0.00 0.00 177.00 176.58 1dkl n PRO 329 N -2.70 2.69 -0.76 0.56 -0.04 -1.26 -0.53 135.00 132.94 1dkl n PRO 329 Ca 0.12 0.96 0.00 0.00 -0.04 0.00 0.00 63.50 64.54 1dkl n PRO 329 Cb 0.51 -2.77 0.00 0.00 -0.04 0.00 0.00 33.50 31.20 1dkl n PRO 329 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1dkl n GLY 330 N 3.06 1.37 3.76 0.55 0.00 -0.43 -4.83 105.19 108.67 1dkl n GLY 330 Ca 0.13 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.74 1dkl n GLY 330 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1dkl n GLY 331 N -2.00 1.08 3.13 -0.02 0.00 0.31 -4.63 105.19 103.05 1dkl n GLY 331 Ca 0.00 0.26 -0.30 0.00 0.00 0.00 0.00 46.02 45.97 1dkl n GLY 331 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1dkl s GLU 332 N -2.24 2.63 -0.43 1.61 2.02 0.64 -1.29 118.70 121.64 1dkl s GLU 332 Ca 0.57 -0.72 -0.17 0.00 0.02 0.00 0.00 54.97 54.67 1dkl s GLU 332 Cb -0.47 -2.13 0.03 0.00 0.10 0.00 0.00 34.13 31.66 1dkl s GLU 332 CO 0.61 0.01 0.43 -1.17 0.02 0.00 0.00 175.26 175.16 1dkl s LEU 333 N 0.78 4.94 -0.25 1.80 0.20 0.52 -0.64 118.68 126.04 1dkl s LEU 333 Ca -0.10 -0.75 -0.08 0.00 0.69 0.00 0.00 54.13 53.90 1dkl s LEU 333 Cb -0.16 -2.35 -0.03 0.00 -0.43 0.00 0.00 46.19 43.22 1dkl s LEU 333 CO 0.01 -0.59 0.08 -0.69 -0.29 0.00 0.00 176.35 174.87 1dkl s VAL 334 N 2.09 4.43 -0.14 1.68 1.01 0.11 -0.67 120.40 128.91 1dkl s VAL 334 Ca 0.11 -0.13 -0.04 0.00 0.00 0.00 0.00 61.98 61.92 1dkl s VAL 334 Cb -0.18 -3.07 -0.03 0.00 0.00 0.00 0.00 36.38 33.10 1dkl s VAL 334 CO 0.13 0.34 -0.00 -0.36 0.00 0.00 0.00 175.10 175.21 1dkl s PHE 335 N 1.52 3.12 0.01 5.22 0.08 0.45 -1.24 117.98 127.13 1dkl s PHE 335 Ca 0.06 -0.05 0.03 0.00 0.12 0.00 0.00 56.93 57.09 1dkl s PHE 335 Cb -0.15 -1.93 -0.01 0.00 -0.57 0.00 0.00 43.02 40.36 1dkl s PHE 335 CO 0.04 0.17 -0.11 -1.21 -0.10 0.00 0.00 175.22 174.02 1dkl s GLU 336 N -0.05 0.79 -0.19 0.44 2.02 0.77 -0.39 118.70 122.10 1dkl s GLU 336 Ca 0.03 -0.48 -0.04 0.00 0.02 0.00 0.00 54.97 54.50 1dkl s GLU 336 Cb -0.13 -0.76 -0.02 0.00 0.10 0.00 0.00 34.13 33.32 1dkl s GLU 336 CO 0.02 0.20 -0.03 0.50 0.02 0.00 0.00 175.26 175.97 1dkl s ARG 337 N -0.56 3.55 -0.04 1.61 3.52 0.69 -0.51 118.95 127.20 1dkl s ARG 337 Ca 0.02 -0.56 0.06 0.00 -0.13 0.00 0.00 55.73 55.11 1dkl s ARG 337 Cb -0.05 -2.98 -0.02 0.00 -1.56 0.00 0.00 34.95 30.34 1dkl s ARG 337 CO 0.00 0.04 -0.21 -1.58 -0.81 0.00 0.00 175.30 172.73 1dkl s TRP 338 N 0.90 2.50 -0.17 5.12 0.52 0.88 -1.59 118.94 127.10 1dkl s TRP 338 Ca -0.00 -0.43 -0.05 0.00 0.02 0.00 0.00 56.10 55.64 1dkl s TRP 338 Cb -0.15 -1.58 -0.03 0.00 -1.15 0.00 0.00 33.47 30.56 1dkl s TRP 338 CO 0.01 -0.02 -0.01 0.50 0.02 0.00 0.00 176.95 177.45 1dkl s ARG 339 N -0.48 3.74 -0.35 4.98 3.52 -0.14 0.06 118.95 130.27 1dkl s ARG 339 Ca 0.06 -0.48 -0.27 0.00 -0.13 0.00 0.00 55.73 54.91 1dkl s ARG 339 Cb -0.11 -3.00 0.02 0.00 -1.56 0.00 0.00 34.95 30.29 1dkl s ARG 339 CO 0.01 0.23 1.00 0.50 -0.81 0.00 0.00 175.30 176.23 1dkl s ARG 340 N 0.42 3.95 0.37 5.12 3.52 0.46 -1.17 118.95 131.62 1dkl s ARG 340 Ca -0.02 0.81 0.11 0.00 -0.13 0.00 0.00 55.73 56.49 1dkl s ARG 340 Cb -0.14 -3.78 0.87 0.00 -1.56 0.00 0.00 34.95 30.35 1dkl s ARG 340 CO 0.02 -0.94 1.87 -0.07 -0.81 0.00 0.00 175.30 175.37 1dkl h LEU 341 N 10.13 0.60 -1.10 -0.88 3.38 -1.75 -0.62 115.31 125.06 1dkl h LEU 341 Ca -0.22 0.04 -0.07 0.00 0.09 0.00 0.00 57.88 57.72 1dkl h LEU 341 Cb 1.07 -0.08 -0.02 0.00 0.09 0.00 0.00 40.66 41.72 1dkl h LEU 341 CO 1.01 0.30 -0.09 0.77 0.09 0.00 0.00 178.44 180.52 1dkl h SER 342 N 0.63 0.50 0.00 -0.43 4.64 -1.83 -3.35 113.55 113.72 1dkl h SER 342 Ca 0.44 -0.12 0.00 0.00 -0.47 0.00 0.00 61.79 61.64 1dkl h SER 342 Cb 0.77 -0.13 0.00 0.00 -0.31 0.00 0.00 62.40 62.73 1dkl h SER 342 CO -0.19 0.64 -0.06 -0.90 -0.87 0.00 0.00 176.83 175.45 1dkl n ASP 343 N -4.22 0.79 -1.52 4.97 3.85 -1.14 -5.01 116.55 114.27 1dkl n ASP 343 Ca 0.01 -1.58 -0.19 0.00 -0.71 0.00 0.00 54.79 52.32 1dkl n ASP 343 Cb 0.31 -0.05 -0.08 0.00 -1.35 0.00 0.00 41.12 39.94 1dkl n ASP 343 CO 0.00 0.00 0.00 0.59 -1.01 0.00 0.00 177.20 176.78 1dkl n ASN 344 N -0.26 -5.20 -4.79 -1.12 3.02 -0.25 -4.97 115.26 101.69 1dkl n ASN 344 Ca 0.01 0.47 -0.36 0.00 -0.03 0.00 0.00 54.58 54.68 1dkl n ASN 344 Cb 0.46 -4.56 -0.03 0.00 -0.61 0.00 0.00 39.78 35.03 1dkl n ASN 344 CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 1dkl s SER 345 N -2.64 6.54 -0.10 6.41 1.04 -1.24 -4.77 113.70 118.94 1dkl s SER 345 Ca 0.00 2.04 -0.02 0.00 0.48 0.00 0.00 55.95 58.44 1dkl s SER 345 Cb 0.00 -2.58 -0.03 0.00 0.10 0.00 0.00 66.02 63.51 1dkl s SER 345 CO 0.00 -0.65 -0.00 -1.10 0.98 0.00 0.00 173.24 172.47 1dkl s GLN 346 N -2.77 3.15 0.03 4.02 -1.52 -1.26 -0.41 119.66 120.91 1dkl s GLN 346 Ca 0.62 -0.43 0.05 0.00 -1.95 0.00 0.00 55.36 53.64 1dkl s GLN 346 Cb -0.21 -2.83 -0.02 0.00 -0.22 0.00 0.00 33.01 29.73 1dkl s GLN 346 CO 0.26 0.60 -0.14 -1.58 -0.25 0.00 0.00 175.29 174.18 1dkl s TRP 347 N -0.59 1.20 -0.16 0.91 0.52 0.11 -1.21 118.94 119.71 1dkl s TRP 347 Ca 0.10 -0.34 -0.01 0.00 0.02 0.00 0.00 56.10 55.87 1dkl s TRP 347 Cb -0.12 -0.72 -0.01 0.00 -1.15 0.00 0.00 33.47 31.48 1dkl s TRP 347 CO 0.02 0.02 -0.12 0.42 0.02 0.00 0.00 176.95 177.31 1dkl s ILE 348 N -0.78 2.93 -0.09 2.03 -1.09 0.24 -0.08 121.20 124.36 1dkl s ILE 348 Ca 0.02 -0.68 0.00 0.00 -2.23 0.00 0.00 60.65 57.76 1dkl s ILE 348 Cb -0.07 -2.26 -0.03 0.00 -1.58 0.00 0.00 42.46 38.52 1dkl s ILE 348 CO 0.01 0.50 -0.08 -1.58 -1.23 0.00 0.00 174.94 172.56 1dkl s GLN 349 N 0.82 2.97 -0.04 2.79 0.74 0.33 -1.86 119.66 125.41 1dkl s GLN 349 Ca -0.04 -0.57 0.05 0.00 0.05 0.00 0.00 55.36 54.85 1dkl s GLN 349 Cb -0.15 -2.64 -0.01 0.00 1.10 0.00 0.00 33.01 31.32 1dkl s GLN 349 CO 0.00 0.53 -0.19 0.08 -0.55 0.00 0.00 175.29 175.16 1dkl s VAL 350 N -0.45 1.60 0.18 1.34 1.01 -1.26 -0.16 120.40 122.66 1dkl s VAL 350 Ca 0.07 -0.82 -0.14 0.00 0.00 0.00 0.00 61.98 61.09 1dkl s VAL 350 Cb -0.12 -1.36 0.01 0.00 0.00 0.00 0.00 36.38 34.91 1dkl s VAL 350 CO 0.02 0.45 0.42 -0.94 0.00 0.00 0.00 175.10 175.05 1dkl s SER 351 N -0.07 -0.13 -0.29 3.32 1.04 -0.37 -1.16 113.70 116.04 1dkl s SER 351 Ca -0.03 -0.65 -0.01 0.00 0.48 0.00 0.00 55.95 55.75 1dkl s SER 351 Cb -0.12 0.52 0.05 0.00 0.10 0.00 0.00 66.02 66.56 1dkl s SER 351 CO 0.02 -0.98 -0.02 -0.22 0.98 0.00 0.00 173.24 173.02 1dkl s LEU 352 N -2.91 3.70 -0.13 2.42 1.98 0.16 -0.71 118.68 123.18 1dkl s LEU 352 Ca 0.12 -1.19 -0.07 0.00 -2.89 0.00 0.00 54.13 50.10 1dkl s LEU 352 Cb 0.01 -1.69 -0.04 0.00 0.66 0.00 0.00 46.19 45.13 1dkl s LEU 352 CO -0.02 -0.22 0.13 -0.69 -1.89 0.00 0.00 176.35 173.66 1dkl s VAL 353 N 1.26 5.42 -0.11 1.68 1.01 0.19 -1.69 120.40 128.15 1dkl s VAL 353 Ca -0.04 0.18 -0.30 0.00 0.00 0.00 0.00 61.98 61.82 1dkl s VAL 353 Cb -0.19 -3.38 0.11 0.00 0.00 0.00 0.00 36.38 32.93 1dkl s VAL 353 CO -0.02 0.59 0.92 0.72 0.00 0.00 0.00 175.10 177.31 1dkl s PHE 354 N -0.80 -0.41 0.14 5.22 -0.12 -0.60 -0.26 117.98 121.16 1dkl s PHE 354 Ca 0.14 0.61 -0.24 0.00 -0.05 0.00 0.00 56.93 57.39 1dkl s PHE 354 Cb -0.12 0.46 -0.08 0.00 -0.63 0.00 0.00 43.02 42.66 1dkl s PHE 354 CO 0.03 -0.43 0.73 -0.65 -0.05 0.00 0.00 175.22 174.85 1dkl s GLN 355 N -1.57 4.48 0.77 1.99 -0.21 -1.26 0.68 119.66 124.54 1dkl s GLN 355 Ca -0.02 1.06 -0.11 0.00 0.02 0.00 0.00 55.36 56.31 1dkl s GLN 355 Cb -0.00 -3.26 0.05 0.00 1.00 0.00 0.00 33.01 30.80 1dkl s GLN 355 CO 0.00 0.59 1.08 0.95 -2.12 0.00 0.00 175.29 175.79 1dkl s THR 356 N -1.14 3.44 0.35 -0.19 -4.23 -1.26 -4.85 115.64 107.76 1dkl s THR 356 Ca 0.34 0.47 0.07 0.00 -1.18 0.00 0.00 61.69 61.39 1dkl s THR 356 Cb -0.22 -3.12 0.31 0.00 1.34 0.00 0.00 72.50 70.81 1dkl s THR 356 CO 0.25 -0.61 1.90 0.25 -0.54 0.00 0.00 174.62 175.87 1dkl h LEU 357 N -1.02 0.68 -0.38 4.79 5.85 -1.37 -1.96 115.31 121.90 1dkl h LEU 357 Ca -0.45 0.02 -0.07 0.00 0.84 0.00 0.00 57.88 58.22 1dkl h LEU 357 Cb 1.24 -0.12 -0.01 0.00 0.37 0.00 0.00 40.66 42.14 1dkl h LEU 357 CO 0.56 0.39 -0.02 -0.61 -0.34 0.00 0.00 178.44 178.41 1dkl h GLN 358 N 0.75 0.69 0.00 1.25 5.75 -1.91 -0.25 115.11 121.38 1dkl h GLN 358 Ca 0.40 -0.23 -0.03 0.00 -0.15 0.00 0.00 58.65 58.64 1dkl h GLN 358 Cb 0.52 -0.06 -0.00 0.00 1.07 0.00 0.00 27.48 29.01 1dkl h GLN 358 CO -0.16 0.80 -0.13 1.96 -2.65 0.00 0.00 178.83 178.65 1dkl h GLN 359 N 0.51 0.00 0.03 1.69 4.20 -1.73 0.92 115.11 120.72 1dkl h GLN 359 Ca 0.11 0.00 -0.12 0.00 0.06 0.00 0.00 58.65 58.69 1dkl h GLN 359 Cb 0.51 0.00 0.01 0.00 0.30 0.00 0.00 27.48 28.30 1dkl h GLN 359 CO 0.02 0.13 -0.49 0.52 -0.67 0.00 0.00 178.83 178.34 1dkl h MET 360 N 0.00 0.29 0.50 1.46 2.86 -1.11 -1.17 114.93 117.76 1dkl h MET 360 Ca -0.00 -0.34 -0.01 0.00 -2.06 0.00 0.00 59.70 57.28 1dkl h MET 360 Cb 0.28 0.11 -0.02 0.00 0.06 0.00 0.00 31.60 32.03 1dkl h MET 360 CO 0.02 1.06 -0.44 -0.09 1.06 0.00 0.00 176.91 178.52 1dkl h ARG 361 N -0.34 -0.91 0.00 1.72 1.12 -0.25 -2.10 114.38 113.63 1dkl h ARG 361 Ca -0.07 0.06 0.00 0.00 -1.11 0.00 0.00 59.98 58.86 1dkl h ARG 361 Cb 1.26 0.21 0.00 0.00 -0.01 0.00 0.00 29.97 31.42 1dkl h ARG 361 CO 0.10 -0.60 0.00 -0.25 -3.11 0.00 0.00 179.97 176.10 1dkl n ASP 362 N -5.54 0.00 -4.00 -3.80 8.00 0.24 -4.73 116.55 106.73 1dkl n ASP 362 Ca -0.12 -0.49 -0.26 0.00 0.71 0.00 0.00 54.79 54.62 1dkl n ASP 362 Cb 0.43 -0.14 -0.03 0.00 -0.02 0.00 0.00 41.12 41.37 1dkl n ASP 362 CO 0.00 0.00 0.00 1.17 -0.39 0.00 0.00 177.20 177.98 1dkl n LYS 363 N -1.14 -3.09 -2.47 -1.24 4.81 -0.54 -4.87 118.16 109.62 1dkl n LYS 363 Ca 0.17 0.38 -0.42 0.00 -0.87 0.00 0.00 58.31 57.56 1dkl n LYS 363 Cb 0.15 -4.48 -0.03 0.00 0.02 0.00 0.00 35.03 30.69 1dkl n LYS 363 CO 0.00 0.00 0.00 0.95 1.17 0.00 0.00 177.40 179.52 1dkl s THR 364 N -3.96 4.25 0.30 3.15 -4.23 -0.61 -4.99 115.64 109.55 1dkl s THR 364 Ca 0.05 1.58 -0.29 0.00 -1.18 0.00 0.00 61.69 61.85 1dkl s THR 364 Cb -0.03 -4.02 -0.11 0.00 1.34 0.00 0.00 72.50 69.69 1dkl s THR 364 CO 0.90 0.03 1.49 -2.16 -0.54 0.00 0.00 174.62 174.34 1dkl s PRO 365 N 1.93 4.19 0.17 3.99 0.04 -1.26 -4.96 135.00 139.10 1dkl s PRO 365 Ca 0.56 2.45 -0.08 0.00 0.04 0.00 0.00 61.00 63.97 1dkl s PRO 365 Cb -0.25 -3.05 -0.06 0.00 0.04 0.00 0.00 34.50 31.18 1dkl s PRO 365 CO 0.24 -0.49 0.45 -0.51 0.04 0.00 0.00 177.00 176.72 1dkl s LEU 366 N -0.92 4.24 0.00 -3.56 1.02 -1.26 -4.87 118.68 113.34 1dkl s LEU 366 Ca 0.58 0.77 -0.12 0.00 0.02 0.00 0.00 54.13 55.38 1dkl s LEU 366 Cb -0.45 -3.41 0.04 0.00 0.02 0.00 0.00 46.19 42.40 1dkl s LEU 366 CO 0.50 0.02 0.60 -1.54 0.02 0.00 0.00 176.35 175.95 1dkl n SER 367 N 0.15 -1.25 -0.01 2.29 3.41 -0.07 -4.46 113.62 113.68 1dkl n SER 367 Ca -0.02 -1.75 0.01 0.00 -0.26 0.00 0.00 58.87 56.85 1dkl n SER 367 Cb 0.52 2.05 0.32 0.00 -0.26 0.00 0.00 64.21 66.84 1dkl n SER 367 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 1dkl h LEU 368 N 0.00 0.50 0.03 1.04 4.07 -1.96 -1.78 115.31 117.22 1dkl h LEU 368 Ca -0.19 -0.07 -0.25 0.00 0.08 0.00 0.00 57.88 57.45 1dkl h LEU 368 Cb 0.78 -0.13 -0.03 0.00 1.08 0.00 0.00 40.66 42.36 1dkl h LEU 368 CO 0.25 0.52 -1.26 0.78 -1.08 0.00 0.00 178.44 177.65 1dkl h ASN 369 N 0.54 0.11 -2.67 -0.43 -0.26 -1.99 -3.38 115.58 107.49 1dkl h ASN 369 Ca 0.12 -0.13 -0.60 0.00 -0.56 0.00 0.00 56.30 55.13 1dkl h ASN 369 Cb 0.23 -0.03 -0.41 0.00 -1.06 0.00 0.00 38.32 37.05 1dkl h ASN 369 CO -0.00 1.11 -0.74 0.41 -1.06 0.00 0.00 177.43 177.15 1dkl n THR 370 N -3.32 0.71 -1.93 2.81 -1.04 -1.08 -5.11 114.28 105.31 1dkl n THR 370 Ca -0.07 -4.42 -0.30 0.00 -2.04 0.00 0.00 64.05 57.22 1dkl n THR 370 Cb 0.99 -2.00 0.03 0.00 -1.82 0.00 0.00 70.33 67.53 1dkl n THR 370 CO 0.00 0.00 0.00 -2.16 -0.64 0.00 0.00 175.07 172.27 1dkl s PRO 371 N -1.13 3.25 0.88 -2.82 0.04 -0.69 -0.89 135.00 133.65 1dkl s PRO 371 Ca 0.30 0.57 -0.12 0.00 0.04 0.00 0.00 61.00 61.79 1dkl s PRO 371 Cb 0.02 -2.08 0.12 0.00 0.04 0.00 0.00 34.50 32.61 1dkl s PRO 371 CO -0.15 -0.76 1.13 -1.25 0.04 0.00 0.00 177.00 176.00 1dkl s PRO 372 N -5.23 1.36 0.82 0.56 0.04 -1.26 -4.92 135.00 126.37 1dkl s PRO 372 Ca 0.56 0.39 -0.11 0.00 0.04 0.00 0.00 61.00 61.88 1dkl s PRO 372 Cb -0.11 -1.86 0.09 0.00 0.04 0.00 0.00 34.50 32.66 1dkl s PRO 372 CO 0.52 -2.07 1.12 0.20 0.04 0.00 0.00 177.00 176.82 1dkl s GLY 373 N -3.98 1.75 -0.28 0.56 0.00 0.22 -4.81 107.32 100.77 1dkl s GLY 373 Ca 0.63 0.45 -0.16 0.00 0.00 0.00 0.00 44.72 45.64 1dkl s GLY 373 CO 0.54 0.83 0.76 1.85 0.00 0.00 0.00 173.10 177.08 1dkl s GLU 374 N -4.70 0.63 -0.11 2.90 2.12 -1.26 -1.56 118.70 116.73 1dkl s GLU 374 Ca 0.64 1.08 0.03 0.00 0.36 0.00 0.00 54.97 57.08 1dkl s GLU 374 Cb -0.20 0.13 0.01 0.00 0.26 0.00 0.00 34.13 34.33 1dkl s GLU 374 CO 0.55 -0.13 -0.20 0.08 -0.54 0.00 0.00 175.26 175.02 1dkl s VAL 375 N 1.52 1.83 0.21 3.70 1.01 -0.68 -4.98 120.40 122.99 1dkl s VAL 375 Ca -0.09 -0.86 -0.30 0.00 0.00 0.00 0.00 61.98 60.73 1dkl s VAL 375 Cb -0.05 -1.61 -0.08 0.00 0.00 0.00 0.00 36.38 34.64 1dkl s VAL 375 CO -0.18 0.51 1.01 -0.54 0.00 0.00 0.00 175.10 175.90 1dkl s LYS 376 N 0.64 4.73 0.31 2.72 -0.14 -1.26 -0.67 119.74 126.06 1dkl s LYS 376 Ca -0.13 1.59 0.09 0.00 -1.36 0.00 0.00 55.97 56.16 1dkl s LYS 376 Cb -0.16 -3.28 -0.04 0.00 -1.68 0.00 0.00 37.83 32.66 1dkl s LYS 376 CO 0.03 0.30 0.09 -0.51 -0.76 0.00 0.00 175.35 174.50 1dkl s LEU 377 N -0.79 3.26 -0.05 3.17 1.02 -0.31 -4.92 118.68 120.06 1dkl s LEU 377 Ca 0.45 -0.70 0.03 0.00 0.02 0.00 0.00 54.13 53.93 1dkl s LEU 377 Cb -0.27 -1.75 0.00 0.00 0.02 0.00 0.00 46.19 44.19 1dkl s LEU 377 CO 0.34 -0.17 -0.13 0.28 0.02 0.00 0.00 176.35 176.69 1dkl s THR 378 N -2.37 1.16 -0.55 5.49 -1.32 -1.26 -4.56 115.64 112.22 1dkl s THR 378 Ca 0.35 -0.54 -0.28 0.00 -1.21 0.00 0.00 61.69 60.01 1dkl s THR 378 Cb -0.04 -1.03 0.03 0.00 -1.51 0.00 0.00 72.50 69.95 1dkl s THR 378 CO 0.22 0.35 1.20 -0.76 -2.21 0.00 0.00 174.62 173.42 1dkl s LEU 379 N 0.32 3.49 0.31 9.08 1.43 -1.26 -4.63 118.68 127.42 1dkl s LEU 379 Ca -0.08 0.23 0.07 0.00 -1.03 0.00 0.00 54.13 53.32 1dkl s LEU 379 Cb -0.12 -3.27 0.85 0.00 0.03 0.00 0.00 46.19 43.68 1dkl s LEU 379 CO 0.02 -1.44 1.69 0.00 0.23 0.00 0.00 176.35 176.85 1dkl h ALA 380 N 9.60 1.61 -0.00 4.21 0.00 -1.70 -0.25 119.26 132.73 1dkl h ALA 380 Ca -0.25 0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.83 1dkl h ALA 380 Cb 1.06 0.15 0.00 0.00 0.00 0.00 0.00 17.79 19.00 1dkl h ALA 380 CO 1.17 -0.40 -0.03 0.41 0.00 0.00 0.00 179.25 180.40 1dkl n GLY 381 N -1.33 -1.26 3.70 0.00 0.00 -1.26 -4.86 105.19 100.19 1dkl n GLY 381 Ca 0.25 -0.16 -0.42 0.00 0.00 0.00 0.00 46.02 45.69 1dkl n GLY 381 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1dkl n GLU 383 N 4.31 1.04 -3.32 0.00 1.02 -1.26 -4.82 120.64 117.61 1dkl n GLU 383 Ca 0.09 -0.07 -0.47 0.00 -0.02 0.00 0.00 57.16 56.69 1dkl n GLU 383 Cb 0.47 -1.31 -0.03 0.00 -0.02 0.00 0.00 31.44 30.56 1dkl n GLU 383 CO 0.00 0.00 0.00 -2.00 1.18 0.00 0.00 177.13 176.31 1dkl s GLU 384 N -2.66 3.46 0.34 3.49 2.12 -1.26 -5.04 118.70 119.15 1dkl s GLU 384 Ca -0.05 -2.28 0.09 0.00 0.36 0.00 0.00 54.97 53.09 1dkl s GLU 384 Cb 0.06 -4.40 -0.05 0.00 0.26 0.00 0.00 34.13 30.00 1dkl s GLU 384 CO 0.52 -1.31 0.08 1.03 -0.54 0.00 0.00 175.26 175.04 1dkl s ARG 385 N 0.53 2.22 0.54 4.30 0.52 -1.26 -1.63 118.95 124.18 1dkl s ARG 385 Ca 0.15 -1.65 0.03 0.00 -0.52 0.00 0.00 55.73 53.73 1dkl s ARG 385 Cb -0.15 -2.05 0.02 0.00 0.52 0.00 0.00 34.95 33.30 1dkl s ARG 385 CO -0.06 0.12 0.20 0.54 0.02 0.00 0.00 175.30 176.11 1dkl s ASN 386 N -3.78 4.38 0.60 0.23 2.20 -0.51 -4.95 114.94 113.10 1dkl s ASN 386 Ca 0.36 -1.51 0.33 0.00 -0.94 0.00 0.00 52.86 51.10 1dkl s ASN 386 Cb -0.01 0.61 1.91 0.00 -2.00 0.00 0.00 41.25 41.76 1dkl s ASN 386 CO 0.21 -1.04 2.25 0.00 -2.94 0.00 0.00 177.10 175.58 1dkl h ALA 387 N 1.01 1.34 -0.15 3.54 0.00 -2.02 0.14 119.26 123.12 1dkl h ALA 387 Ca -0.40 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.49 1dkl h ALA 387 Cb 1.32 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.11 1dkl h ALA 387 CO 0.65 0.02 0.00 1.04 0.00 0.00 0.00 179.25 180.97 1dkl n GLN 388 N -3.61 1.56 -0.98 0.00 1.13 -1.26 -4.89 117.38 109.33 1dkl n GLN 388 Ca -0.03 -0.84 0.00 0.00 -1.94 0.00 0.00 57.00 54.19 1dkl n GLN 388 Cb 0.11 -1.34 0.00 0.00 0.11 0.00 0.00 30.24 29.12 1dkl n GLN 388 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1dkl n GLY 389 N 1.02 0.50 3.82 1.08 0.00 0.04 -5.02 105.19 106.63 1dkl n GLY 389 Ca 0.14 -0.06 -0.33 0.00 0.00 0.00 0.00 46.02 45.77 1dkl n GLY 389 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1dkl s MET 390 N -0.14 4.20 0.12 1.61 -1.94 -1.26 -4.79 119.30 117.11 1dkl s MET 390 Ca 0.00 1.02 -0.06 0.00 -1.71 0.00 0.00 55.69 54.95 1dkl s MET 390 Cb 0.00 -2.30 -0.06 0.00 2.01 0.00 0.00 34.83 34.48 1dkl s MET 390 CO 0.00 0.05 0.37 0.00 -0.01 0.00 0.00 175.02 175.43 1dkl s SER 392 N -2.26 5.07 0.27 0.00 1.04 -0.64 0.81 113.70 117.99 1dkl s SER 392 Ca 0.39 1.93 -0.02 0.00 0.48 0.00 0.00 55.95 58.73 1dkl s SER 392 Cb -0.12 -2.54 0.43 0.00 0.10 0.00 0.00 66.02 63.88 1dkl s SER 392 CO 0.23 -1.66 1.88 0.25 0.98 0.00 0.00 173.24 174.92 1dkl h LEU 393 N -0.18 1.03 -0.50 2.42 5.85 -1.49 -0.22 115.31 122.22 1dkl h LEU 393 Ca -0.46 0.01 -0.04 0.00 0.84 0.00 0.00 57.88 58.23 1dkl h LEU 393 Cb 1.24 -0.21 -0.02 0.00 0.37 0.00 0.00 40.66 42.04 1dkl h LEU 393 CO 0.54 0.65 0.17 0.00 -0.34 0.00 0.00 178.44 179.46 1dkl h ALA 394 N 1.46 0.65 -0.20 1.25 0.00 -1.91 0.76 119.26 121.27 1dkl h ALA 394 Ca 0.44 -0.18 -0.02 0.00 0.00 0.00 0.00 54.91 55.15 1dkl h ALA 394 Cb 0.19 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 1dkl h ALA 394 CO -0.18 0.30 0.05 0.78 0.00 0.00 0.00 179.25 180.20 1dkl h GLY 395 N 0.67 0.35 0.99 0.00 0.00 -1.73 -1.04 103.07 102.31 1dkl h GLY 395 Ca 0.16 -0.22 -0.00 0.00 0.00 0.00 0.00 47.33 47.28 1dkl h GLY 395 CO -0.01 0.20 0.21 -2.75 0.00 0.00 0.00 176.54 174.20 1dkl h PHE 396 N 0.14 0.44 -0.78 5.60 3.04 -0.96 -0.86 116.94 123.57 1dkl h PHE 396 Ca 0.06 0.00 0.03 0.00 3.98 0.00 0.00 57.97 62.05 1dkl h PHE 396 Cb 0.27 -0.15 -0.04 0.00 2.56 0.00 0.00 35.95 38.59 1dkl h PHE 396 CO 0.01 0.31 0.52 1.15 -2.02 0.00 0.00 178.31 178.27 1dkl h THR 397 N 0.44 1.14 -0.37 4.41 2.02 -0.72 -0.87 112.91 118.96 1dkl h THR 397 Ca 0.12 -0.34 -0.10 0.00 0.77 0.00 0.00 66.41 66.87 1dkl h THR 397 Cb -0.01 0.07 -0.01 0.00 -1.74 0.00 0.00 68.15 66.46 1dkl h THR 397 CO -0.02 0.18 -0.15 -0.61 0.37 0.00 0.00 175.52 175.29 1dkl h GLN 398 N 0.99 0.76 -0.64 6.66 4.15 -0.72 -0.61 115.11 125.69 1dkl h GLN 398 Ca 0.31 -0.32 0.02 0.00 0.77 0.00 0.00 58.65 59.43 1dkl h GLN 398 Cb 0.01 -0.03 -0.04 0.00 0.21 0.00 0.00 27.48 27.63 1dkl h GLN 398 CO -0.08 0.93 0.40 0.82 -1.93 0.00 0.00 178.83 178.97 1dkl h ILE 399 N 0.55 1.10 -0.26 2.39 2.04 -0.53 -2.38 117.51 120.42 1dkl h ILE 399 Ca 0.09 -0.27 -0.04 0.00 1.00 0.00 0.00 64.86 65.64 1dkl h ILE 399 Cb 0.69 0.23 -0.01 0.00 -0.74 0.00 0.00 36.82 36.99 1dkl h ILE 399 CO 0.05 0.15 0.02 0.58 0.00 0.00 0.00 178.15 178.95 1dkl h VAL 400 N 0.80 1.24 0.00 1.67 2.07 -0.93 -1.93 116.25 119.17 1dkl h VAL 400 Ca 0.25 -0.84 -0.00 0.00 0.82 0.00 0.00 66.70 66.93 1dkl h VAL 400 Cb -0.00 1.30 -0.00 0.00 -1.52 0.00 0.00 31.29 31.06 1dkl h VAL 400 CO -0.09 0.27 -0.01 0.78 0.02 0.00 0.00 177.57 178.53 1dkl h ASN 401 N 0.23 0.00 0.76 0.57 2.35 -0.88 -1.43 115.58 117.19 1dkl h ASN 401 Ca 0.08 0.00 -0.10 0.00 -0.55 0.00 0.00 56.30 55.73 1dkl h ASN 401 Cb 0.37 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.73 1dkl h ASN 401 CO 0.01 0.01 -1.31 -0.62 -1.65 0.00 0.00 177.43 173.87 1dkl n GLU 402 N -4.21 0.62 0.05 0.81 1.02 -0.92 -4.28 120.64 113.73 1dkl n GLU 402 Ca -0.03 0.16 -0.20 0.00 -0.02 0.00 0.00 57.16 57.07 1dkl n GLU 402 Cb 0.10 -1.79 -0.14 0.00 -0.02 0.00 0.00 31.44 29.58 1dkl n GLU 402 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1dkl h ALA 403 N 1.67 -0.07 -2.97 0.62 0.00 -0.69 -3.47 119.26 114.35 1dkl h ALA 403 Ca -0.10 -0.69 -0.55 0.00 0.00 0.00 0.00 54.91 53.56 1dkl h ALA 403 Cb 1.34 0.10 0.17 0.00 0.00 0.00 0.00 17.79 19.39 1dkl h ALA 403 CO 0.03 0.41 0.47 -0.98 0.00 0.00 0.00 179.25 179.18 1dkl s ARG 404 N -2.60 2.29 -0.36 0.00 1.70 -0.60 -4.82 118.95 114.57 1dkl s ARG 404 Ca -0.13 1.99 -0.08 0.00 -0.47 0.00 0.00 55.73 57.05 1dkl s ARG 404 Cb 0.02 -1.82 0.04 0.00 -0.57 0.00 0.00 34.95 32.62 1dkl s ARG 404 CO 0.85 -1.78 0.15 0.42 -1.08 0.00 0.00 175.30 173.85 1dkl s ILE 405 N -1.59 4.00 0.31 4.99 -1.09 -1.26 -5.00 121.20 121.57 1dkl s ILE 405 Ca 0.80 -1.13 0.09 0.00 -2.23 0.00 0.00 60.65 58.18 1dkl s ILE 405 Cb -0.35 -3.29 0.31 0.00 -1.58 0.00 0.00 42.46 37.54 1dkl s ILE 405 CO 0.43 -0.24 1.72 -0.65 -1.23 0.00 0.00 174.94 174.96 1dkl h PRO 406 N 8.29 0.51 0.00 2.79 0.11 -1.95 0.54 132.00 142.29 1dkl h PRO 406 Ca -0.23 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.85 1dkl h PRO 406 Cb 1.09 -0.12 0.00 0.00 0.11 0.00 0.00 31.00 32.08 1dkl h PRO 406 CO 0.64 0.34 0.00 0.00 -0.21 0.00 0.00 178.00 178.77 1dkl h ALA 407 N 1.73 1.00 -0.13 -0.75 0.00 -1.96 -2.79 119.26 116.37 1dkl h ALA 407 Ca 0.63 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.54 1dkl h ALA 407 Cb 1.21 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.00 1dkl h ALA 407 CO -0.49 0.00 0.00 0.00 0.00 0.00 0.00 179.25 178.76 1dkl s SER 409 N -1.83 5.76 0.00 0.00 1.04 -1.05 -4.34 113.70 113.28 1dkl s SER 409 Ca 0.33 1.76 0.28 0.00 0.48 0.00 0.00 55.95 58.80 1dkl s SER 409 Cb 0.21 -2.52 0.97 0.00 0.10 0.00 0.00 66.02 64.77 1dkl s SER 409 CO 0.31 -1.18 1.70 0.18 0.98 0.00 0.00 173.24 175.22